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docking\uff09\u662f\u4e00\u79cd\u8ba1\u7b97\u65b9\u6cd5\uff0c\u7528\u4e8e\u9884\u6d4b\u86cb\u767d\u8d28\u548c\u5c0f\u5206\u5b50\uff08\u914d\u4f53\uff09\u4e4b\u95f4\u7684\u7ed3\u5408\u65b9\u5f0f\u548c\u76f8\u4e92\u4f5c\u7528\u5f3a\u5ea6\u3002\u5b83\u662f\u836f\u7269\u8bbe\u8ba1\u3001\u751f\u7269\u6d3b\u6027\u7814\u7a76\u548c\u5206\u5b50\u8bc6\u522b\u4e2d\u91cd\u8981\u7684\u5de5\u5177\u4e4b\u4e00\u3002<\/p>\n<p>\u5206\u5b50\u5bf9\u63a5\u7684\u76ee\u6807\u662f\u9884\u6d4b\u86cb\u767d\u8d28\u548c\u914d\u4f53\u5728\u7a7a\u95f4\u4e0a\u7684\u6700\u4f73\u76f8\u4e92\u6392\u5217\uff0c\u4ee5\u5bfb\u627e\u7a33\u5b9a\u7684\u7ed3\u5408\u6784\u8c61\u548c\u5224\u65ad\u7ed3\u5408\u5f3a\u5ea6\u3002\u901a\u8fc7\u6a21\u62df\u8fd9\u79cd\u7ed3\u5408\u8fc7\u7a0b\uff0c\u53ef\u4ee5\u9884\u6d4b\u836f\u7269\u5019\u9009\u7269\u4e0e\u9776\u86cb\u767d\u7684\u76f8\u4e92\u4f5c\u7528\u6a21\u5f0f\uff0c\u4e3a\u836f\u7269\u53d1\u73b0\u548c\u8bbe\u8ba1\u63d0\u4f9b\u6307\u5bfc\u3002<\/p>\n<h2>\u5206\u5b50\u5bf9\u63a5\u7684\u6b65\u9aa4\uff1f<\/h2>\n<p>\u4ee5\u4e0b\u662f\u5c0f\u679c\u7ed9\u5927\u5bb6\u603b\u7ed3\u7684\u5206\u5b50\u5bf9\u63a5\u4e00\u822c\u6b65\u9aa4\uff1a<\/p>\n<ol>\n<li><strong>\u9884\u5904\u7406<\/strong>\uff1a\u51c6\u5907\u86cb\u767d\u8d28\u548c\u914d\u4f53\u7684\u7ed3\u6784\uff0c\u5305\u62ec\u53bb\u9664\u6c34\u5206\u5b50\u3001\u79bb\u5b50\u7b49\u3001\u4fee\u6b63\u6784\u8c61\u95ee\u9898\uff1b\u6dfb\u52a0\u6c22\u539f\u5b50\u7b49\u64cd\u4f5c\u3002\u8fd9\u4e00\u6b65\u5c0f\u679c\u5728\u4e4b\u524d\u7684\u6587\u7ae0\u4e2d\u7ed9\u5927\u5bb6\u7279\u522b\u8be6\u7ec6\u5730\u5206\u4eab\u8fc7\u5982\u4f55\u4f7f\u7528Discovery Studio\u8fdb\u884c\u64cd\u4f5c\uff0c\u6ca1\u6709\u770b\u8fc7\u7684\u5c0f\u4f19\u4f34\u4eec\u8bb0\u5f97\u53bb\u770b\u4e00\u770b\u54e6~<\/li>\n<li><strong>\u5b9a\u4e49\u6d3b\u6027\u4f4d\u70b9<\/strong>\uff1a\u786e\u5b9a\u86cb\u767d\u8d28\u4e0a\u53ef\u80fd\u4e0e\u914d\u4f53\u76f8\u4e92\u4f5c\u7528\u7684\u533a\u57df\uff0c\u5373\u6d3b\u6027\u4f4d\u70b9\uff08\u6216\u79f0\u53d7\u4f53\u7ed3\u5408\u4f4d\u70b9\uff09\u3002\u6d3b\u6027\u4f4d\u70b9\u7684\u9009\u62e9\u901a\u5e38\u57fa\u4e8e\u86cb\u767d\u8d28\u7684\u7ed3\u6784\u4fe1\u606f\u548c\u76f8\u5173\u751f\u7269\u6d3b\u6027\u6570\u636e\u3002<\/li>\n<li><strong>\u5b9a\u4e49\u641c\u7d22\u7a7a\u95f4<\/strong>\uff1a\u6839\u636e\u6d3b\u6027\u4f4d\u70b9\u786e\u5b9a\u4e00\u4e2a\u5408\u7406\u7684\u641c\u7d22\u7a7a\u95f4\uff0c\u9650\u5236\u914d\u4f53\u7684\u63a2\u7d22\u8303\u56f4\uff0c\u4ee5\u63d0\u9ad8\u8ba1\u7b97\u6548\u7387\u3002<\/li>\n<li><strong>\u5bf9\u63a5\u641c\u7d22<\/strong>\uff1a\u4f7f\u7528\u9002\u5f53\u7684\u5206\u5b50\u5bf9\u63a5\u7b97\u6cd5\uff0c\u5728\u641c\u7d22\u7a7a\u95f4\u5185\u8fdb\u884c\u591a\u4e2a\u914d\u4f53\u6784\u8c61\u7684\u5feb\u901f\u63a2\u7d22\uff0c\u5e76\u8bc4\u4f30\u5b83\u4eec\u4e0e\u86cb\u767d\u8d28\u7684\u7ed3\u5408\u80fd\u3002<\/li>\n<li><strong>\u7ed3\u679c\u5206\u6790\u548c\u8bc4\u4f30<\/strong>\uff1a\u5bf9\u5bf9\u63a5\u7ed3\u679c\u8fdb\u884c\u5206\u6790\uff0c\u5305\u62ec\u9884\u6d4b\u7684\u6700\u4f73\u914d\u4f53\u6784\u8c61\u3001\u7ed3\u5408\u4f4d\u70b9\u548c\u76f8\u4e92\u4f5c\u7528\u6a21\u5f0f\u7b49\u3002\u4f7f\u7528\u8bc4\u5206\u51fd\u6570\u5bf9\u4e0d\u540c\u6784\u8c61\u8fdb\u884c\u8bc4\u4f30\uff0c\u5224\u65ad\u5176\u4eb2\u548c\u6027\u548c\u7a33\u5b9a\u6027\u3002<\/li>\n<li><strong>\u7ed3\u679c\u4f18\u5316<\/strong>\uff1a\u6839\u636e\u5bf9\u63a5\u7ed3\u679c\uff0c\u53ef\u4ee5\u8fdb\u884c\u540e\u7eed\u7684\u7ed3\u6784\u4f18\u5316\uff0c\u5305\u62ec\u5f15\u5165\u4fee\u9970\u57fa\u56e2\u3001\u8bbe\u8ba1\u836f\u7269\u884d\u751f\u7269\u7b49\uff0c\u4ee5\u8fdb\u4e00\u6b65\u6539\u5584\u7ed3\u5408\u4eb2\u548c\u6027\u548c\u9009\u62e9\u6027\u3002<\/li>\n<\/ol>\n<p>\u5c0f\u679c\u63d0\u9192\u5927\u5bb6\uff0c\u5728\u8fdb\u884c\u5206\u5b50\u5bf9\u63a5\u65f6\uff0c\u9700\u8981\u6ce8\u610f\u4ee5\u4e0b\u51e0\u4e2a\u65b9\u9762\uff1a<\/p>\n<ol>\n<li><strong>\u6d3b\u6027\u4f4d\u70b9\u51c6\u786e\u6027<\/strong>\uff1a\u6d3b\u6027\u4f4d\u70b9\u5b9a\u4e49\u7684\u51c6\u786e\u6027\u5bf9\u4e8e\u5206\u5b50\u5bf9\u63a5\u7684\u7ed3\u679c\u81f3\u5173\u91cd\u8981\u3002\u9700\u8981\u4f9d\u8d56\u86cb\u767d\u8d28\u7ed3\u6784\u4fe1\u606f\u548c\u751f\u7269\u6d3b\u6027\u6570\u636e\u6765\u786e\u5b9a\u6d3b\u6027\u4f4d\u70b9\u3002<\/li>\n<li><strong>\u6d3b\u6027\u4f4d\u70b9\u4e0d\u5b8c\u5168\u7b49\u4e8e\u53d7\u4f53\u7ed3\u5408\u4f4d\u70b9<\/strong>\uff1a\u6d3b\u6027\u4f4d\u70b9\u548c\u53d7\u4f53\u7ed3\u5408\u4f4d\u70b9\u5728\u5927\u591a\u6570\u60c5\u51b5\u4e0b\u662f\u76f8\u4e92\u91cd\u53e0\u7684\uff0c\u6307\u7684\u662f\u540c\u4e00\u4e2a\u533a\u57df\u6216\u4f4d\u7f6e\u3002\u7136\u800c\uff0c\u5b83\u4eec\u53ef\u80fd\u5728\u4ee5\u4e0b\u60c5\u51b5\u4e0b\u6709\u6240\u4e0d\u540c\uff1a\n<ol>\n<li>\u591a\u4e2a\u7ed3\u5408\u4f4d\u70b9\uff1a\u67d0\u4e9b\u86cb\u767d\u8d28\u53ef\u80fd\u5177\u6709\u591a\u4e2a\u7ed3\u5408\u4f4d\u70b9\uff0c\u5176\u4e2d\u53ea\u6709\u4e00\u4e2a\u662f\u6d3b\u6027\u4f4d\u70b9\uff0c\u5176\u4ed6\u4f4d\u70b9\u53ef\u80fd\u4e0e\u914d\u4f53\u7ed3\u5408\uff0c\u4f46\u6ca1\u6709\u660e\u663e\u7684\u751f\u7269\u6d3b\u6027\u3002\u56e0\u6b64\uff0c\u6d3b\u6027\u4f4d\u70b9\u662f\u5728\u591a\u4e2a\u7ed3\u5408\u4f4d\u70b9\u4e2d\u5177\u6709\u7279\u5b9a\u529f\u80fd\u7684\u5b50\u533a\u57df\u3002<\/li>\n<li>\u6784\u8c61\u53d8\u5316\uff1a\u5728\u67d0\u4e9b\u60c5\u51b5\u4e0b\uff0c\u86cb\u767d\u8d28\u53ef\u4ee5\u901a\u8fc7\u6784\u8c61\u53d8\u5316\u6765\u6539\u53d8\u5176\u7ed3\u5408\u4f4d\u70b9\u7684\u4f4d\u7f6e\u6216\u5f62\u72b6\u3002\u8fd9\u53ef\u80fd\u5bfc\u81f4\u6d3b\u6027\u4f4d\u70b9\u548c\u53d7\u4f53\u7ed3\u5408\u4f4d\u70b9\u4e0d\u5b8c\u5168\u91cd\u53e0\uff0c\u56e0\u4e3a\u5728\u7279\u5b9a\u6784\u8c61\u4e0b\u624d\u80fd\u5448\u73b0\u51fa\u6d3b\u6027\u4f4d\u70b9\u3002<\/li>\n<li>\u914d\u4f53\u9009\u62e9\u6027\uff1a\u67d0\u4e9b\u86cb\u767d\u8d28\u53ef\u80fd\u5177\u6709\u4e0e\u4e0d\u540c\u7c7b\u522b\u7684\u914d\u4f53\u7ed3\u5408\u7684\u80fd\u529b\uff0c\u5e76\u4e14\u8fd9\u4e9b\u914d\u4f53\u4e0e\u53d7\u4f53\u7ed3\u5408\u7684\u4f4d\u7f6e\u53ef\u80fd\u7565\u6709\u4e0d\u540c\u3002\u5728\u8fd9\u79cd\u60c5\u51b5\u4e0b\uff0c\u6d3b\u6027\u4f4d\u70b9\u53ef\u4ee5\u6307\u7684\u662f\u9488\u5bf9\u7279\u5b9a\u7c7b\u522b\u914d\u4f53\u7684\u4f18\u5148\u9009\u62e9\u533a\u57df\u3002<\/li>\n<\/ol>\n<\/li>\n<li><strong>\u7075\u6d3b\u6027\u5904\u7406<\/strong>\uff1a\u86cb\u767d\u8d28\u548c\u914d\u4f53\u7684\u7075\u6d3b\u6027\uff08\u6307\u5b83\u4eec\u5728\u7ed3\u5408\u8fc7\u7a0b\u4e2d\u53ef\u80fd\u53d1\u751f\u7684\u6784\u8c61\u53d8\u5316\u6216\u67d4\u6027\u8fd0\u52a8\uff09\u5728\u7ed3\u5408\u8fc7\u7a0b\u4e2d\u8d77\u7740\u91cd\u8981\u4f5c\u7528\uff0c\u53ef\u4ee5\u91c7\u7528\u67d4\u6027\u5bf9\u63a5\u65b9\u6cd5\u6216\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u7b49\u6280\u672f\u6765\u8003\u8651\u7075\u6d3b\u6027\u3002<\/li>\n<\/ol>\n<ul>\n<li>\uff08\u6ce8\uff1a\u86cb\u767d\u8d28\u7684\u7075\u6d3b\u6027\u901a\u5e38\u6307\u7684\u662f\u86cb\u767d\u8d28\u7684\u6784\u8c61\u53d8\u5316\u80fd\u529b\u3002\u86cb\u767d\u8d28\u53ef\u4ee5\u901a\u8fc7\u5185\u90e8\u6784\u8c61\u53d8\u5316\uff08\u5982\u4fa7\u94fe\u65cb\u8f6c\u3001\u7247\u6bb5\u79fb\u52a8\u7b49\uff09\u6216\u6574\u4f53\u6784\u8c61\u53d8\u5316\uff08\u5982\u86cb\u767d\u8d28\u7684\u6536\u7f29\u3001\u5ef6\u4f38\u3001\u6298\u53e0\u7b49\uff09\u6765\u9002\u5e94\u4e0e\u914d\u4f53\u7684\u7ed3\u5408\uff0c\u8fd9\u79cd\u7075\u6d3b\u6027\u662f\u86cb\u767d\u8d28\u529f\u80fd\u7684\u91cd\u8981\u57fa\u7840\uff0c\u4f7f\u5f97\u86cb\u767d\u8d28\u80fd\u591f\u4e0e\u591a\u79cd\u4e0d\u540c\u7ed3\u6784\u548c\u5927\u5c0f\u7684\u914d\u4f53\u53d1\u751f\u7ed3\u5408\u3002<\/li>\n<li>\u800c\u914d\u4f53\u7684\u7075\u6d3b\u6027\u901a\u5e38\u6307\u7684\u662f\u914d\u4f53\u7684\u6784\u8c61\u53d8\u5316\u6216\u67d4\u6027\u8fd0\u52a8\u3002\u914d\u4f53\u53ef\u80fd\u662f\u5c0f\u5206\u5b50\u836f\u7269\u3001\u5e95\u7269\u6216\u5176\u4ed6\u4e0e\u86cb\u767d\u8d28\u76f8\u4e92\u4f5c\u7528\u7684\u5c0f\u5206\u5b50\u3002\u914d\u4f53\u7684\u7075\u6d3b\u6027\u610f\u5473\u7740\u5b83\u53ef\u4ee5\u901a\u8fc7\u6784\u8c61\u8c03\u6574\u6765\u9002\u5e94\u4e0e\u86cb\u767d\u8d28\u7684\u7ed3\u5408\u4f4d\u70b9\u7684\u5f62\u72b6\u3001\u7535\u8377\u5206\u5e03\u548c\u5176\u4ed6\u7279\u5f81\u3002\u8fd9\u79cd\u7075\u6d3b\u6027\u4f7f\u5f97\u914d\u4f53\u80fd\u591f\u4e0e\u86cb\u767d\u8d28\u5f62\u6210\u7a33\u5b9a\u7684\u7ed3\u5408\uff0c\u5e76\u53d1\u6325\u5176\u751f\u7269\u6d3b\u6027\u6216\u529f\u80fd\u3002\uff09<\/li>\n<\/ul>\n<ol>\n<li><strong>\u53c2\u6570\u8bbe\u7f6e<\/strong>\uff1a\u9009\u62e9\u9002\u5f53\u7684\u7b97\u6cd5\u548c\u53c2\u6570\u975e\u5e38\u91cd\u8981\u3002\u4e0d\u540c\u7684\u7b97\u6cd5\u548c\u8bc4\u5206\u51fd\u6570\u53ef\u80fd\u9002\u7528\u4e8e\u4e0d\u540c\u7c7b\u578b\u7684\u7ed3\u5408\u7cfb\u7edf\uff0c\u9700\u8981\u6839\u636e\u5177\u4f53\u60c5\u51b5\u8fdb\u884c\u8c03\u6574\u548c\u9a8c\u8bc1\u3002<\/li>\n<li><strong>\u7ed3\u679c\u89e3\u91ca\u4e0e\u9a8c\u8bc1<\/strong>\uff1a\u5206\u5b50\u5bf9\u63a5\u7ed3\u679c\u5e94\u5f53\u8c28\u614e\u89e3\u91ca\u3002\u5728\u6700\u9ad8\u8bc4\u5206\u7684\u7ed3\u5408\u6a21\u5f0f\u4e0b\uff0c\u4ecd\u7136\u9700\u8981\u8003\u8651\u5b9e\u9a8c\u9a8c\u8bc1\u548c\u8fdb\u4e00\u6b65\u4f18\u5316\u3002<\/li>\n<li><strong>\u5b9e\u9a8c\u9a8c\u8bc1<\/strong>\uff1a\u5206\u5b50\u5bf9\u63a5\u662f\u4e00\u79cd\u8ba1\u7b97\u65b9\u6cd5\uff0c\u5728\u7ed3\u679c\u7684\u89e3\u91ca\u548c\u9a8c\u8bc1\u65b9\u9762\u9700\u8981\u4e0e\u5b9e\u9a8c\u76f8\u7ed3\u5408\u3002\u5b9e\u9a8c\u6280\u672f\u5982\u7ed3\u6676\u5b66\u3001\u6838\u78c1\u5171\u632f\u7b49\u53ef\u4ee5\u63d0\u4f9b\u66f4\u51c6\u786e\u7684\u7ed3\u5408\u6a21\u5f0f\u548c\u4eb2\u548c\u6027\u4fe1\u606f\u3002<\/li>\n<\/ol>\n<p>\u76f8\u4fe1\u5927\u5bb6\u5df2\u7ecf\u6e05\u695a\u4e86\u5206\u5b50\u5bf9\u63a5\u7684\u57fa\u672c\u6b65\u9aa4\uff0c\u90a3\u4e48\u5c0f\u679c\u73b0\u5728\u5c31\u5411\u5927\u5bb6\u4ecb\u7ecd\u5982\u4f55\u4f7f\u7528Discovery Studio\u8fdb\u884c\u5206\u5b50\u5bf9\u63a5~<\/p>\n<h2>\u5982\u4f55\u5b9a\u4e49\u6d3b\u6027\u4f4d\u70b9\uff1f<\/h2>\n<p>\u5c0f\u679c\u5728\u4e4b\u524d\u7684\u6587\u7ae0\u4e2d\u7ed9\u5927\u5bb6\u7279\u522b\u8be6\u7ec6\u5730\u5206\u4eab\u8fc7\u5982\u4f55\u4f7f\u7528Discovery Studio\u5bf9\u5c0f\u5206\u5b50\u914d\u4f53\u548c\u86cb\u767d\u7ed3\u6784\u8fdb\u884c\u5904\u7406\uff0c\u56e0\u6b64\u6211\u4eec\u76f4\u63a5\u4ece\u5b9a\u4e49\u6d3b\u6027\u4f4d\u70b9\u8fd9\u4e00\u6b65\u5f00\u59cb\uff0c\u6ca1\u6709\u770b\u8fc7\u524d\u9762\u5206\u4eab\u7684\u5c0f\u4f19\u4f34\u4eec\u8bb0\u5f97\u53bb\u770b\u4e00\u770b\u54e6~<\/p>\n<p>\u9996\u5148\u7b2c\u4e00\u6b65\u6211\u4eec\u9700\u8981\u5c06\u7ecf\u8fc7\u9884\u5904\u7406\u7684\u86cb\u767d\u5b9a\u4e49\u4e3a\u53d7\u4f53\uff0c\u5177\u4f53\u4f4d\u7f6e\u5982\u4e0b\u56fe\u6240\u793a\uff1aReceptor-Ligand Interactions&gt;Define and Edit Binding Site&gt;Define Receptor<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"341\" class=\"wp-image-27213\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?resize=640%2C341\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?resize=300%2C160 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?resize=1024%2C546 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?resize=768%2C410 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?resize=1536%2C819 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?resize=600%2C320 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-1.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u8fd9\u4e00\u6b65\u64cd\u4f5c\u5b8c\u6210\u4e4b\u540e\uff0c\u6211\u4eec\u8981\u9009\u62e9\u5b9a\u4e49\u54ea\u91cc\u4e3a\u6d3b\u6027\u4f4d\u70b9\u3002\u5b9a\u4e49\u6d3b\u6027\u4f4d\u70b9\u6211\u4eec\u9700\u8981\u8003\u8651\u4ee5\u4e0b\u51e0\u4e2a\u56e0\u7d20\uff1a<\/p>\n<ol>\n<li>\u4fdd\u5b88\u6027\u6c28\u57fa\u9178\uff1a\u5728\u86cb\u767d\u8d28\u5bb6\u65cf\u4e2d\uff0c\u6d3b\u6027\u4f4d\u70b9\u901a\u5e38\u5305\u542b\u9ad8\u5ea6\u4fdd\u5b88\u7684\u6c28\u57fa\u9178\u6b8b\u57fa\uff0c\u8fd9\u4e9b\u6b8b\u57fa\u5728\u4e0d\u540c\u6210\u5458\u4e4b\u95f4\u5b58\u5728\u8f83\u4f4e\u7684\u53d8\u5f02\u7387\uff0c\u8fd9\u4e9b\u6c28\u57fa\u9178\u53ef\u80fd\u662f\u5173\u952e\u7684\u50ac\u5316\u6216\u914d\u4f53\u7ed3\u5408\u6b8b\u57fa\u3002\u4f8b\u5982\uff0c\u8840\u7ea2\u86cb\u767d\u5bb6\u65cf\u4e2d\u7684\u6d3b\u6027\u4f4d\u70b9\u901a\u5e38\u5305\u542b\u9ad8\u5ea6\u4fdd\u5b88\u7684\u7ec4\u6c28\u9178\u6b8b\u57fa\uff08His\uff09\u548c\u4eae\u6c28\u9178\u6b8b\u57fa\uff08Leu\uff09\u3002<\/li>\n<li>\u50ac\u5316\u6b8b\u57fa\uff1a\u6d3b\u6027\u4f4d\u70b9\u5e38\u5305\u542b\u4e00\u4e9b\u7279\u5b9a\u7684\u50ac\u5316\u6b8b\u57fa\uff0c\u5982\u4eb2\u6838\u6b8b\u57fa\u3001\u9178\u6216\u78b1\u6b8b\u57fa\u7b49\uff0c\u8fd9\u4e9b\u50ac\u5316\u6b8b\u57fa\u80fd\u591f\u53c2\u4e0e\u50ac\u5316\u53cd\u5e94\u4e2d\u7684\u7279\u5b9a\u6b65\u9aa4\uff0c\u4ece\u800c\u4fc3\u8fdb\u50ac\u5316\u6d3b\u6027\u3002\u4f8b\u5982\u4e19\u916e\u9178\u6fc0\u9176\uff08Acetolactate synthase\uff09\u7684\u6d3b\u6027\u4f4d\u70b9\u5305\u542bLys\u6b8b\u57fa\uff0c\u8be5\u6b8b\u57fa\u5728\u50ac\u5316\u53cd\u5e94\u4e2d\u8d77\u5230\u78b1\u50ac\u5316\u7684\u4f5c\u7528\u3002<\/li>\n<li>\u5e95\u7269\u8bc6\u522b\u6b8b\u57fa\uff1a\u6d3b\u6027\u4f4d\u70b9\u4e0a\u7684\u67d0\u4e9b\u6c28\u57fa\u9178\u6b8b\u57fa\u53ef\u80fd\u53c2\u4e0e\u5e95\u7269\u7684\u8bc6\u522b\u548c\u7279\u5f02\u6027\u7ed3\u5408\uff0c\u8fd9\u4e9b\u6b8b\u57fa\u53ef\u4ee5\u901a\u8fc7\u6c22\u952e\u3001\u758f\u6c34\u76f8\u4e92\u4f5c\u7528\u3001\u79bb\u5b50\u76f8\u4e92\u4f5c\u7528\u7b49\u65b9\u5f0f\u4e0e\u5e95\u7269\u5206\u5b50\u53d1\u751f\u76f8\u4e92\u4f5c\u7528\u3002\u4f8b\u5982\u4e73\u9178\u8131\u6c22\u9176\uff08Lactate dehydrogenase\uff09\u7684\u6d3b\u6027\u4f4d\u70b9\u4e0a\u7684Arg\u6b8b\u57fa\u4e0e\u5e95\u7269\u4e19\u916e\u9178\u4e4b\u95f4\u5f62\u6210\u6c22\u952e\uff0c\u4ece\u800c\u8bc6\u522b\u5e76\u7ed3\u5408\u7279\u5b9a\u7684\u5e95\u7269\u3002<\/li>\n<li>\u91d1\u5c5e\u79bb\u5b50\u914d\u4f4d\u4f4d\u70b9\uff1a\u67d0\u4e9b\u86cb\u767d\u8d28\u9700\u8981\u91d1\u5c5e\u79bb\u5b50\u6765\u5b9e\u73b0\u50ac\u5316\u6d3b\u6027\uff0c\u6d3b\u6027\u4f4d\u70b9\u4e2d\u7684\u7279\u5b9a\u6c28\u57fa\u9178\u6b8b\u57fa\u53ef\u4ee5\u5f62\u6210\u91d1\u5c5e\u79bb\u5b50\u7684\u914d\u4f4d\u4f4d\u70b9\uff0c\u4ece\u800c\u7a33\u5b9a\u91d1\u5c5e\u79bb\u5b50\u5e76\u53c2\u4e0e\u50ac\u5316\u8fc7\u7a0b\u3002\u4f8b\u5982\u7c7b\u80f0\u5c9b\u7d20\u6837\u751f\u957f\u56e0\u5b50\u53d7\u4f53\uff08Insulin-like growth factor receptor\uff09\u7684\u6d3b\u6027\u4f4d\u70b9\u4e2d\u901a\u8fc7His\u6b8b\u57fa\u5f62\u6210\u7684\u914d\u4f4d\u4f4d\u70b9\u53ef\u4ee5\u7a33\u5b9a\u91d1\u5c5e\u79bb\u5b50\uff0c\u8fdb\u800c\u53c2\u4e0e\u50ac\u5316\u8fc7\u7a0b\u3002<\/li>\n<li>\u6c22\u952e\u7f51\u7edc\uff1a\u6d3b\u6027\u4f4d\u70b9\u4e2d\u7684\u6c28\u57fa\u9178\u6b8b\u57fa\u53ef\u4ee5\u901a\u8fc7\u6c22\u952e\u5f62\u6210\u7279\u5b9a\u7684\u7f51\u7edc\u7ed3\u6784\uff0c\u8fd9\u6709\u52a9\u4e8e\u4fdd\u6301\u4f4d\u70b9\u7684\u7a33\u5b9a\u6027\u548c\u529f\u80fd\u6d3b\u6027\u3002\u4f8b\u5982\u4e59\u9187\u8131\u6c22\u9176\uff08Alcohol dehydrogenase\uff09\u7684\u6d3b\u6027\u4f4d\u70b9\u4e2d\u7684\u6c28\u57fa\u9178\u6b8b\u57fa\u5f62\u6210\u6c22\u952e\u7f51\u7edc\uff0c\u7ef4\u6301\u6d3b\u6027\u4f4d\u70b9\u7684\u7a33\u5b9a\u6027\u548c\u50ac\u5316\u6d3b\u6027\u3002<\/li>\n<li>\u758f\u6c34\u53e3\u888b\uff1a\u67d0\u4e9b\u6d3b\u6027\u4f4d\u70b9\u53ef\u80fd\u5305\u542b\u758f\u6c34\u53e3\u888b\uff0c\u80fd\u591f\u5728\u50ac\u5316\u8fc7\u7a0b\u4e2d\u4e0e\u758f\u6c34\u6027\u5e95\u7269\u6216\u914d\u4f53\u76f8\u4e92\u4f5c\u7528\u3002\u4f8b\u5982\u4e59\u9170\u80c6\u78b1\u916f\u9176\uff08Acetylcholinesterase\uff09\u7684\u6d3b\u6027\u4f4d\u70b9\u4e2d\u7684\u758f\u6c34\u53e3\u888b\u80fd\u591f\u4e0e\u5e95\u7269\u4e59\u9170\u80c6\u78b1\u5206\u5b50\u7684\u758f\u6c34\u90e8\u5206\u76f8\u4e92\u4f5c\u7528\u3002<\/li>\n<li>\u6d3b\u6027\u4f4d\u70b9\u7684\u62d3\u6251\u7279\u5f81\uff1a\u6d3b\u6027\u4f4d\u70b9\u7684\u62d3\u6251\u7279\u5f81\u6307\u7684\u662f\u7a7a\u95f4\u7ed3\u6784\u548c\u6b8b\u57fa\u4e4b\u95f4\u7684\u5173\u7cfb\u3002\u4f8b\u5982\uff0c\u51f9\u69fd\u3001\u96a7\u9053\u6216\u5f00\u653e\u7684\u9762\u79ef\u7b49\u7279\u5f81\u53ef\u4ee5\u5f71\u54cd\u5e95\u7269\u5206\u5b50\u7684\u8fdb\u5165\u548c\u7ed3\u5408\uff0c\u86cb\u767d\u916a\u6c28\u9178\u6fc0\u9176\uff08Tyrosine kinase\uff09\u7684\u6d3b\u6027\u4f4d\u70b9\u5177\u6709\u51f9\u69fd\u7ed3\u6784\uff0c\u8be5\u7ed3\u6784\u80fd\u591f\u5bb9\u7eb3\u548c\u5b9a\u4f4d\u5e95\u7269\u5206\u5b50\uff0c\u4ece\u800c\u5b9e\u73b0\u50ac\u5316\u53cd\u5e94\u3002<\/li>\n<\/ol>\n<p>\u8fd9\u91cc\u53ef\u80fd\u6709\u5c0f\u4f19\u4f34\u53cd\u6620\u8bf4\uff0c\u53c2\u8003\u8fd9\u4e48\u591a\u56e0\u7d20\u5b9e\u5728\u592a\u9ebb\u70e6\u4e86\uff0c\u6211\u4e0d\u9700\u8981\u505a\u5230\u8fd9\u4e48\u5b8c\u7f8e\uff0c\u6709\u6ca1\u6709\u7b80\u5355\u70b9\u7684\u65b9\u6cd5\uff1f\u90a3\u4e48\u5c0f\u679c\u5728\u8fd9\u91cc\u7ed9\u5927\u5bb6\u4e24\u4e2a\u5b9a\u4e49\u6d3b\u6027\u4f4d\u70b9\u7684\u5efa\u8bae\uff1a<\/p>\n<p>\u9996\u5148\uff0c\u5c0f\u4f19\u4f34\u4eec\u53ef\u4ee5\u53bb\u67e5\u9605\u6587\u732e\uff0c\u5173\u4e8e\u8fd9\u4e2a\u86cb\u767d\u662f\u5426\u6709\u76f8\u5e94\u7684\u7814\u7a76\u6765\u62a5\u9053\u6700\u9002\u5408\u5b9a\u4e49\u4e3a\u6d3b\u6027\u4f4d\u70b9\u7684\u533a\u57df\u5728\u54ea\u91cc\u3002<\/p>\n<p>\u5982\u679c\u6ca1\u6709\u76f8\u5173\u7684\u6587\u732e\u600e\u4e48\u529e\u5462\uff1f\u5c0f\u679c\u518d\u7ed9\u5927\u5bb6\u63a8\u8350\u4e00\u4e2a\u5e38\u7528\u7684\u65b9\u6cd5\uff0c\u90a3\u5c31\u662f\u901a\u8fc7Discovery Studio\u6765\u5206\u6790\u54ea\u91cc\u9002\u5408\u4f5c\u4e3a\u6d3b\u6027\u4f4d\u70b9\uff1a<\/p>\n<p>\u5177\u4f53\u7684\u64cd\u4f5c\u6309\u94ae\u662fReceptor-Ligand Interactions-&gt;Define and Edit Binding Site-&gt;From Receptor Cavities<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"343\" class=\"wp-image-27214\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?resize=640%2C343\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?resize=300%2C161 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?resize=1024%2C548 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?resize=768%2C411 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?resize=1536%2C822 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?resize=600%2C321 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-2.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u60f3\u8981\u6df1\u5165\u4e86\u89e3\u7684\u5c0f\u4f19\u4f34\u53ef\u4ee5\u67e5\u8be2\u5b98\u65b9\u7684\u6587\u6863\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"314\" class=\"wp-image-27215\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?resize=640%2C314\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?w=1789 1789w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?resize=300%2C147 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?resize=1024%2C503 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?resize=768%2C377 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?resize=1536%2C755 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?resize=600%2C295 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-3.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u70b9\u51fb\u4e4b\u540e\u7b49\u5f85\u4e00\u6bb5\u65f6\u95f4\uff0c\u8f6f\u4ef6\u4f1a\u5e2e\u6211\u4eec\u5206\u6790\u51fa\u63a8\u8350\u7684\u4f4d\u70b9\uff0c\u5c55\u793a\u5728\u5de6\u4fa7\uff0c\u6211\u4eec\u53ef\u4ee5\u6328\u4e2a\u52fe\u9009\u6765\u8fdb\u884c\u67e5\u770b\uff08\u6ce8\uff1a\u7ea2\u7403\u5185\u90e8\u5373\u4e3a\u6d3b\u6027\u4f4d\u70b9\uff09\uff1a<\/p>\n<p>\u5168\u90e8\u4f4d\u70b9\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"339\" class=\"wp-image-27216\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?resize=640%2C339\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?resize=300%2C159 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?resize=1024%2C543 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?resize=768%2C407 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?resize=1536%2C814 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?resize=600%2C318 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-4.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u4f4d\u70b9\u4e00\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"341\" class=\"wp-image-27217\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?resize=640%2C341\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?resize=300%2C160 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?resize=1024%2C546 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?resize=768%2C410 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?resize=1536%2C819 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?resize=600%2C320 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-5.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u4f4d\u70b9\u4e8c\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"342\" class=\"wp-image-27218\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?resize=640%2C342\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?w=1919 1919w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?resize=300%2C160 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?resize=1024%2C546 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?resize=768%2C410 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?resize=1536%2C820 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?resize=600%2C320 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-6.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u4f4d\u70b9\u4e09\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"343\" class=\"wp-image-27219\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?resize=640%2C343\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?resize=300%2C161 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?resize=1024%2C549 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?resize=768%2C412 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?resize=1536%2C824 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?resize=600%2C322 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-7.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<h2>\u5982\u4f55\u67e5\u770b\u6d3b\u6027\u4f4d\u70b9\uff1f<\/h2>\n<p>\u4e0a\u9762\u7684\u7ea2\u7403\u53eb\u505aSBD\uff08Shape-Based Descriptors\uff09\uff0c\u5b83\u662fSBD\u65b9\u6cd5\u4e2d\u7684\u4e00\u79cd\u57fa\u4e8e\u5f62\u72b6\u7684\u63cf\u8ff0\u7b26\uff0c\u7528\u4e8e\u8868\u793a\u5206\u5b50\u7684\u4e09\u7ef4\u7ed3\u6784\u548c\u8868\u9762\u7279\u5f81\uff0c\u5373\u63cf\u8ff0\u86cb\u767d\u8d28\u6d3b\u6027\u4f4d\u70b9\u5468\u56f4\u7684\u7403\u5f62\u4f53\u79ef\u3002\u5728\u86cb\u767d\u8d28\u7684\u6d3b\u6027\u4f4d\u70b9\u4e2d\uff0c\u901a\u5e38\u5b58\u5728\u7740\u7279\u5b9a\u7684\u7a7a\u95f4\u8981\u6c42\u548c\u5f62\u72b6\u7279\u5f81\uff0c\u4ee5\u9002\u914d\u4e0e\u5176\u76f8\u4e92\u4f5c\u7528\u7684\u5c0f\u5206\u5b50\u914d\u4f53\u3002SBD_Site_Sphere\u901a\u8fc7\u5c06\u4f4d\u70b9\u5468\u56f4\u7684\u7a7a\u95f4\u5212\u5206\u4e3a\u591a\u4e2a\u7403\u5f62\u4f53\u79ef\u6765\u63cf\u8ff0\u6d3b\u6027\u4f4d\u70b9\u7684\u5f62\u72b6\u7279\u5f81\u3002\u6bcf\u4e2a\u7403\u5f62\u4f53\u79ef\u90fd\u53ef\u4ee5\u5177\u6709\u4e0d\u540c\u7684\u5c5e\u6027\uff0c\u4f8b\u5982\u534a\u5f84\u3001\u4f4d\u7f6e\u548c\u7269\u7406\u5316\u5b66\u7279\u6027\u3002<\/p>\n<p>\u901a\u8fc7\u4f7f\u7528SBD_Site_Sphere\u63cf\u8ff0\u7b26\uff0c\u53ef\u4ee5\u5c06\u86cb\u767d\u8d28\u6d3b\u6027\u4f4d\u70b9\u7684\u5f62\u72b6\u4fe1\u606f\u8f6c\u5316\u4e3a\u6570\u503c\u5316\u7684\u8868\u793a\uff0c\u4ee5\u4fbf\u8fdb\u884c\u8ba1\u7b97\u548c\u6bd4\u8f83\u3002\u8fd9\u4e9b\u63cf\u8ff0\u7b26\u53ef\u7528\u4e8e\u836f\u7269\u8bbe\u8ba1\u3001\u865a\u62df\u7b5b\u9009\u548c\u6d3b\u6027\u4f4d\u70b9\u9884\u6d4b\u7b49\u5e94\u7528\u3002\u4e0b\u9762\u5c0f\u679c\u518d\u6559\u5927\u5bb6\u51e0\u62db\u89c2\u5bdf\u548c\u8c03\u6574SBD_Site_Sphere\u7684\u65b9\u6cd5\uff1a<\/p>\n<p>Show\/Hide Site Spheres \u53ef\u4ee5\u63a7\u5236\u662f\u5426\u663e\u793a\u7ea2\u7403<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"343\" class=\"wp-image-27220\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?resize=640%2C343\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?resize=300%2C161 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?resize=1024%2C549 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?resize=768%2C412 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?resize=1536%2C823 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?resize=600%2C322 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-8.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u901a\u8fc7change site size\u4e0b\u7684contract\u548cexpand\u53ef\u4ee5\u8c03\u6574\u7ea2\u7403\u7684\u5927\u5c0f\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"343\" class=\"wp-image-27221\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?resize=640%2C343\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?w=1919 1919w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?resize=300%2C161 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?resize=1024%2C549 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?resize=768%2C411 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?resize=1536%2C823 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?resize=600%2C321 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-9.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u6211\u4eec\u4e5f\u53ef\u4ee5\u901a\u8fc7\u53e6\u4e00\u79cd\u65b9\u5f0f\u8c03\u6574\u7ea2\u7403\u7684\u53c2\u6570\uff1a\u9009\u4e2d\u7ea2\u7403\u540e\u70b9\u51fb\u53f3\u952e\u5c55\u5f00\u83dc\u5355\u680f\uff0c\u70b9\u51fbattribute of 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SBD_Site_Sphere \u7684\u534a\u5f84\u8c03\u6574\u65f6\uff0c\u6709\u51e0\u4e2a\u6ce8\u610f\u4e8b\u9879\u9700\u8981\u8003\u8651\uff1a<\/p>\n<ol>\n<li>\u6839\u636e\u76ee\u6807\u86cb\u767d\u8d28\u7684\u7279\u6027\u8fdb\u884c\u8c03\u6574\uff1aSBD_Site_Sphere 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SBD_Site_Sphere \u63cf\u8ff0\u7b26\u5e94\u7528\u4e8e\u4e00\u7ec4\u5df2\u77e5\u7684\u86cb\u767d\u8d28-\u914d\u4f53\u590d\u5408\u7269\uff0c\u7136\u540e\u8bc4\u4f30\u5176\u9884\u6d4b\u6027\u80fd\u548c\u51c6\u786e\u6027\u3002<\/li>\n<\/ol>\n<p>\u5c0f\u679c\u5728\u8fd9\u91cc\u5efa\u8bae\u521d\u5b66\u7684\u5c0f\u4f19\u4f34\u4eec\uff0c\u5982\u679c\u6ca1\u6709\u5341\u5206\u786e\u5b9a\u7684\u5408\u9002\u53c2\u6570\uff0c\u4fdd\u6301\u8f6f\u4ef6\u9ed8\u8ba4\u7684\u53c2\u6570\u5373\u53ef\uff0c\u53ef\u4ee5\u901a\u8fc7change site 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https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-12.png?resize=300%2C162 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-12.png?resize=1024%2C551 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-12.png?resize=768%2C414 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-12.png?resize=1536%2C827 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-12.png?resize=600%2C323 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-12.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u968f\u540e\u5173\u95ed\u86cb\u767d\u7684\u663e\u793a\u5e76\u8ba9\u539f\u5b50\u4ee5\u7ebf\u6027\u65b9\u5f0f\u663e\u793a\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"343\" class=\"wp-image-27225\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?resize=640%2C343\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?resize=300%2C161 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?resize=1024%2C549 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?resize=768%2C412 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?resize=1536%2C824 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?resize=600%2C322 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-13.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"342\" class=\"wp-image-27226\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?resize=640%2C342\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?resize=300%2C160 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?resize=1024%2C547 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?resize=768%2C410 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?resize=1536%2C821 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?resize=600%2C321 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-14.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u518d\u5173\u95ed\u7ea2\u7403\u7684\u663e\u793a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"343\" class=\"wp-image-27227\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?resize=640%2C343\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?resize=300%2C161 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?resize=1024%2C549 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?resize=768%2C412 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?resize=1536%2C824 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?resize=600%2C322 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-15.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u968f\u540e\u6211\u4eec\u6253\u5f00\u5904\u7406\u597d\u7684\u5c0f\u5206\u5b50\u914d\u4f53<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"344\" class=\"wp-image-27228\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?resize=640%2C344\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?w=1920 1920w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?resize=300%2C161 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?resize=1024%2C550 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?resize=768%2C412 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?resize=1536%2C825 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?resize=600%2C322 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-16.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u7136\u540e\u5c31\u53ef\u4ee5\u70b9\u5f00\u5206\u5b50\u5bf9\u63a5\u9009\u9879\u5566\uff1aReceptor-Ligand Interactions-&gt;Dock Ligands\uff0c\u53ef\u4ee5\u770b\u5230\u8fd9\u91cc\u6709\u4e09\u79cd\u65b9\u5f0f\uff1aDock Ligands (LibDock)\u3001Dock Ligands (GOLD)\u3001Dock Ligands (CDOCKER)<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"341\" class=\"wp-image-27229\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?resize=640%2C341\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?w=1935 1935w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?resize=300%2C160 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?resize=1024%2C545 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?resize=768%2C409 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?resize=1536%2C818 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?resize=600%2C319 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-17.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u5c0f\u679c\u5728\u8fd9\u91cc\u7ed9\u5927\u5bb6\u7b80\u5355\u4ecb\u7ecd\u4e00\u4e0b\uff0c&#8221;LibDock&#8221;\u3001&#8221;GOLD&#8221;\u548c&#8221;CDOCKER&#8221;\u662f\u4e09\u79cd\u5206\u5b50\u5bf9\u63a5\u8f6f\u4ef6\uff0c\u5b83\u4eec\u7684\u4ecb\u7ecd\u5982\u4e0b\uff1a<\/p>\n<ol>\n<li>&#8220;LibDock&#8221;\u662f\u4e00\u79cd\u5e38\u7528\u7684\u57fa\u4e8e\u6676\u683c\u5339\u914d\u548c\u7279\u5f81\u8bc4\u5206\u7684\u5bf9\u63a5\u65b9\u6cd5\uff0c\u5b83\u4f7f\u7528\u5c0f\u5206\u5b50\u5e93\u8fdb\u884c\u9ad8\u901a\u91cf\u7b5b\u9009\uff0c\u901a\u8fc7\u5224\u65ad\u5206\u5b50\u4e0e\u86cb\u767d\u8d28\u4e4b\u95f4\u7684\u4eb2\u548c\u529b\u6765\u9884\u6d4b\u7ed3\u5408\u80fd\u529b\u548c\u4eb2\u5408\u6027\u3002<\/li>\n<li>&#8220;GOLD&#8221;\uff08Genetic Optimization for Ligand Docking\uff09\u662f\u4e00\u79cd\u57fa\u4e8e\u9057\u4f20\u7b97\u6cd5\u7684\u5bf9\u63a5\u7a0b\u5e8f\uff0c\u5b83\u901a\u8fc7\u5728\u5206\u5b50\u5185\u641c\u7d22\u5408\u9002\u7684\u4f4d\u59ff\u548c\u6784\u8c61\u6765\u5bfb\u627e\u6700\u4f73\u7684\u914d\u4f53-\u86cb\u767d\u8d28\u7ed3\u5408\u65b9\u5f0f\u3002&#8221;GOLD&#8221;\u4f7f\u7528\u5206\u5b50\u529b\u5b66\u529b\u573a\u548c\u8bc4\u5206\u51fd\u6570\u8fdb\u884c\u8bc4\u4f30\uff0c\u5e76\u5229\u7528\u9057\u4f20\u7b97\u6cd5\u8fdb\u884c\u4f18\u5316\u3002<\/li>\n<li>&#8220;CDOCKER&#8221;\uff08Chemical Docking\uff09\u662f\u4e00\u79cd\u57fa\u4e8e\u836f\u7269\u8bbe\u8ba1\u7684\u81ea\u52a8\u5316\u5bf9\u63a5\u8f6f\u4ef6\uff0c\u5b83\u4f7f\u7528\u5206\u5b50\u5bf9\u63a5\u7b97\u6cd5\u6765\u9884\u6d4b\u5c0f\u5206\u5b50\u4e0e\u86cb\u767d\u8d28\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u3002&#8221;CDOCKER&#8221;\u4f7f\u7528\u7684\u662f\u4e00\u79cd\u57fa\u4e8e\u80fd\u91cf\u548c\u76f8\u4e92\u4f5c\u7528\u7684\u8bc4\u4f30\u6307\u6807\uff0c\u4ee5\u786e\u5b9a\u6700\u4f73\u7684\u914d\u4f53-\u86cb\u767d\u8d28\u7ed3\u5408\u6a21\u5f0f\u3002<\/li>\n<\/ol>\n<p>\u8fd9\u91cc\u5c0f\u679c\u518d\u5bf9\u4e09\u79cd\u5206\u5b50\u5bf9\u63a5\u8f6f\u4ef6\u7684\u9002\u7528\u60c5\u51b5\u3001\u7279\u70b9\u548c\u4f18\u52a3\u8fdb\u884c\u7b80\u8981\u8bf4\u660e\uff1a<\/p>\n<p>LibDock:<\/p>\n<ul>\n<li>\u9002\u7528\u60c5\u51b5\uff1a\u9002\u7528\u4e8e\u9ad8\u901a\u91cf\u7b5b\u9009\uff0c\u4ece\u5927\u578b\u5c0f\u5206\u5b50\u5e93\u4e2d\u5feb\u901f\u7b5b\u9009\u51fa\u53ef\u80fd\u7684\u7ed3\u5408\u914d\u4f53\u3002<\/li>\n<li>\u7279\u70b9\uff1a\u57fa\u4e8e\u6676\u683c\u5339\u914d\u548c\u7279\u5f81\u8bc4\u5206\uff0c\u901f\u5ea6\u8f83\u5feb\uff0c\u9002\u7528\u4e8e\u5927\u89c4\u6a21\u7b5b\u9009\u3002<\/li>\n<li>\u4f18\u52a3\uff1a\n<ul>\n<li>\u4f18\u70b9\uff1a\u8ba1\u7b97\u901f\u5ea6\u5feb\uff0c\u9002\u7528\u4e8e\u9ad8\u901a\u91cf\u7b5b\u9009\uff1b\u6613\u4e8e\u4f7f\u7528\u548c\u5b9e\u65bd\u3002<\/li>\n<li>\u7f3a\u70b9\uff1a\u8f83\u7b80\u5316\u7684\u8bc4\u5206\u51fd\u6570\uff0c\u53ef\u80fd\u65e0\u6cd5\u6355\u6349\u5230\u590d\u6742\u7684\u76f8\u4e92\u4f5c\u7528\uff1b\u7ed3\u679c\u53ef\u80fd\u6709\u4e00\u5b9a\u8bef\u5dee\u3002<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>GOLD:<\/p>\n<ul>\n<li>\u9002\u7528\u60c5\u51b5\uff1a\u9002\u7528\u4e8e\u9884\u6d4b\u7cbe\u786e\u7684\u914d\u4f53-\u86cb\u767d\u8d28\u7ed3\u5408\u4f4d\u59ff\uff0c\u5e76\u4f18\u5316\u914d\u4f53\u7684\u6784\u8c61\u3002<\/li>\n<li>\u7279\u70b9\uff1a\u57fa\u4e8e\u9057\u4f20\u7b97\u6cd5\uff0c\u80fd\u591f\u641c\u7d22\u591a\u79cd\u914d\u4f53\u4f4d\u59ff\u548c\u6784\u8c61\uff0c\u5e76\u901a\u8fc7\u8bc4\u5206\u51fd\u6570\u8fdb\u884c\u4f18\u5316\u3002<\/li>\n<li>\u4f18\u52a3\uff1a\n<ul>\n<li>\u4f18\u70b9\uff1a\u80fd\u591f\u627e\u5230\u66f4\u51c6\u786e\u7684\u914d\u4f53\u7ed3\u5408\u4f4d\u59ff\u548c\u6784\u8c61\uff1b\u9002\u7528\u4e8e\u7ed3\u5408\u6a21\u5f0f\u8f83\u590d\u6742\u7684\u7cfb\u7edf\u3002<\/li>\n<li>\u7f3a\u70b9\uff1a\u8ba1\u7b97\u8017\u65f6\u8f83\u957f\uff1b\u9700\u8981\u66f4\u591a\u7684\u53c2\u6570\u548c\u8bbe\u7f6e\uff0c\u8f83\u590d\u6742\u3002<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>CDOCKER:<\/p>\n<ul>\n<li>\u9002\u7528\u60c5\u51b5\uff1a\u9002\u7528\u4e8e\u836f\u7269\u8bbe\u8ba1\u548c\u836f\u7269\u4f18\u5316\u8fc7\u7a0b\u4e2d\u7684\u81ea\u52a8\u5316\u5bf9\u63a5\u3002<\/li>\n<li>\u7279\u70b9\uff1a\u57fa\u4e8e\u80fd\u91cf\u548c\u76f8\u4e92\u4f5c\u7528\u8bc4\u4f30\u914d\u4f53-\u86cb\u767d\u8d28\u7ed3\u5408\uff0c\u652f\u6301\u5206\u5b50\u529b\u5b66\u6a21\u62df\u3002<\/li>\n<li>\u4f18\u52a3\uff1a\n<ul>\n<li>\u4f18\u70b9\uff1a\u9002\u7528\u4e8e\u836f\u7269\u8bbe\u8ba1\u8fc7\u7a0b\uff0c\u80fd\u591f\u8003\u8651\u80fd\u91cf\u548c\u76f8\u4e92\u4f5c\u7528\uff1b\u80fd\u591f\u8fdb\u884c\u5206\u5b50\u529b\u5b66\u6a21\u62df\u3002<\/li>\n<li>\u7f3a\u70b9\uff1a\u9700\u8981\u8f83\u957f\u7684\u8ba1\u7b97\u65f6\u95f4\uff1b\u7ed3\u679c\u53ef\u80fd\u53d7\u5230\u529b\u573a\u53c2\u6570\u7684\u5f71\u54cd\u3002<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>\u611f\u5174\u8da3\u7684\u5c0f\u4f19\u4f34\u53ef\u4ee5\u53bb\u67e5\u9605\u5b98\u65b9\u6587\u6863\u83b7\u5f97\u66f4\u8be6\u7ec6\u7684\u4fe1\u606f\uff1a<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" width=\"640\" height=\"334\" class=\"wp-image-27230\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?resize=640%2C334\" srcset=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?w=1792 1792w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?resize=300%2C157 300w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?resize=1024%2C535 1024w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?resize=768%2C401 768w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?resize=1536%2C802 1536w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?resize=600%2C313 600w, https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/01\/word-image-27212-18.png?w=1280 1280w\" sizes=\"(max-width: 640px) 100vw, 640px\" data-recalc-dims=\"1\" \/><\/p>\n<p>\u4e09\u79cd\u5206\u5b50\u5bf9\u63a5\u65b9\u6cd5\u7684\u64cd\u4f5c\u65b9\u6cd5\u5bf9\u4e8e\u6211\u4eec\u4f7f\u7528\u8005\u6765\u8bf4\u5927\u540c\u5c0f\u5f02\uff0c\u8fd9\u91cc\u5c0f\u679c\u5c31\u4ee5CDOCKER\u4e3a\u4f8b\u5411\u5927\u5bb6\u4ecb\u7ecd\uff1a<\/p>\n<p>\u70b9\u51fbCDOCKER\uff0c\u53c2\u6570Input Receptor \u8bbe\u7f6e\u4e3a\u86cb\u767d\u540d:\u86cb\u767d\u540d;\u53c2\u6570Input Ligands \u8bbe\u7f6e\u4e3a\u5c0f\u5206\u5b50\u540d:All;Input Site Sphere\u53c2\u6570\u4e3a\u5b9a\u4e49\u597d\u7684\u6d3b\u6027\u4f4d\u70b9\u7684\u5750\u6807\uff1b<\/p>\n<p>\u5c0f\u679c\u63d0\u9192\u5927\u5bb6\uff0c\u5176\u4f59\u53c2\u6570\u6839\u636e\u81ea\u5df1\u7684\u9700\u6c42\u8bbe\u7f6e\uff0c\u6ca1\u6709\u7edf\u4e00\u6807\u51c6\uff0c\u4f46\u6bcf\u4e00\u9879\u53c2\u6570\u7684\u8bbe\u7f6e\u90fd\u5e94\u8be5\u5341\u5206\u8c28\u614e\uff0c\u56e0\u4e3a\u4f1a\u5bf9\u540e\u7eed\u7814\u7a76\u9020\u6210\u5f88\u5927\u7684\u5f71\u54cd\u3002\u4f8b\u5982\uff0cTop Hits \u4e0b\u7684Pose Cluster 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