{"id":35840,"date":"2025-01-01T20:00:21","date_gmt":"2025-01-01T12:00:21","guid":{"rendered":"https:\/\/17aitech.com\/?p=35840"},"modified":"2025-01-01T20:00:21","modified_gmt":"2025-01-01T12:00:21","slug":"%e5%90%8c%e6%97%b6%e7%94%9f%e6%88%90%e8%9b%8b%e7%99%bd%e5%ba%8f%e5%88%97%e5%92%8c%e7%bb%93%e6%9e%84%ef%bc%8cdavid-baker%e5%9b%a2%e9%98%9f%e5%ba%8f%e5%88%97%e7%a9%ba%e9%97%b4%e6%89%a9%e6%95%a3%e6%96%b0","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=35840","title":{"rendered":"\u540c\u65f6\u751f\u6210\u86cb\u767d\u5e8f\u5217\u548c\u7ed3\u6784\uff0cDavid Baker\u56e2\u961f\u5e8f\u5217\u7a7a\u95f4\u6269\u6563\u65b0\u6a21\u578b\u767bNature\u5b50\u520a"},"content":{"rendered":"<p>\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:<a href=\"https:\/\/www.jiqizhixin.com\/articles\/2024-09-29-4\" target=\"_blank\">\u540c\u65f6\u751f\u6210\u86cb\u767d\u5e8f\u5217\u548c\u7ed3\u6784\uff0cDavid Baker\u56e2\u961f\u5e8f\u5217\u7a7a\u95f4\u6269\u6563\u65b0\u6a21\u578b\u767bNature\u5b50\u520a<\/a><\/p>\n<section><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-e44b69c1c3895fb06be660775ed2dad1.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-e44b69c1c3895fb06be660775ed2dad1.png\"><\/a><\/section>\n<p>\u7f16\u8f91 | KX<\/p>\n<p>\u86cb\u767d\u8d28\u53bb\u566a\u6269\u6563\u6982\u7387\u6a21\u578b\u7528\u4e8e\u4ece\u5934\u751f\u6210\u86cb\u767d\u8d28\u9aa8\u67b6\uff0c\u4f46\u5176\u5728\u5f15\u5bfc\u751f\u6210\u5177\u6709\u5e8f\u5217\u7279\u5f02\u6027\u5c5e\u6027\u548c\u529f\u80fd\u7279\u6027\u7684\u86cb\u767d\u8d28\u65b9\u9762\u5b58\u5728\u5c40\u9650\u3002<\/p>\n<p>\u4e3a\u4e86\u514b\u670d\u8fd9\u4e00\u9650\u5236\uff0c\u534e\u76db\u987f\u5927\u5b66 David Baker \u56e2\u961f\uff0c\u5f00\u53d1\u4e86\u4e00\u79cd\u57fa\u4e8e\u00a0RoseTTAFold\u00a0\u7684\u5e8f\u5217\u7a7a\u95f4\u6269\u6563\u6a21\u578b ProteinGenerator (PG)\uff0c\u53ef\u540c\u65f6\u751f\u6210\u86cb\u767d\u8d28\u5e8f\u5217\u548c\u7ed3\u6784\u3002<\/p>\n<p>\u4ece\u566a\u58f0\u5e8f\u5217\u8868\u793a\u5f00\u59cb\uff0cPG \u901a\u8fc7\u8fed\u4ee3\u53bb\u566a\u751f\u6210\u5e8f\u5217\u548c\u7ed3\u6784\u5bf9\uff0c\u5e76\u4ee5\u6240\u9700\u7684\u5e8f\u5217\u548c\u7ed3\u6784\u86cb\u767d\u8d28\u5c5e\u6027\u4e3a\u6307\u5bfc\u3002<\/p>\n<p>\u7814\u7a76\u8bbe\u8ba1\u4e86\u5177\u6709\u4e0d\u540c\u6c28\u57fa\u9178\u7ec4\u6210\u548c\u5185\u90e8\u5e8f\u5217\u91cd\u590d\u7684\u8010\u70ed\u86cb\u767d\u8d28\u548c\u7b3c\u72b6\u751f\u7269\u6d3b\u6027\u80bd\uff0c\u4f8b\u5982\u8702\u6bd2\u80bd\u3002<\/p>\n<p>PG \u8bbe\u8ba1\u8f68\u8ff9\u53ef\u4ee5\u7531\u5b9e\u9a8c\u5e8f\u5217\u6d3b\u6027\u6570\u636e\u6307\u5bfc\uff0c\u4e3a\u86cb\u767d\u8d28\u529f\u80fd\u7684\u7efc\u5408\u8ba1\u7b97\u548c\u5b9e\u9a8c\u4f18\u5316\u63d0\u4f9b\u4e86\u4e00\u79cd\u901a\u7528\u65b9\u6cd5\u3002<\/p>\n<p>\u8be5\u7814\u7a76\u4ee5\u300c<em>Multistate and functional protein design using RoseTTAFold sequence space diffusion<\/em>\u300d\u4e3a\u9898\uff0c\u4e8e 9 \u6708 25 \u65e5\u53d1\u5e03\u5728\u300a<em>Nature Biotechnology<\/em>\u300b\u4e0a\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-69818837743e39238fae90802d1568d3.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-69818837743e39238fae90802d1568d3.png\"><\/a><\/p>\n<section>\u8bba\u6587\u94fe\u63a5\uff1a<em>https:\/\/www.nature.com\/articles\/s41587-024-02395-w<\/em><\/section>\n<div id=\"ez-toc-container\" class=\"ez-toc-v2_0_78 ez-toc-wrap-left-text counter-hierarchy ez-toc-counter ez-toc-light-blue ez-toc-container-direction\">\n<div class=\"ez-toc-title-container\">\n<p class=\"ez-toc-title\" style=\"cursor:inherit\">\u6587\u7ae0\u76ee\u5f55<\/p>\n<span class=\"ez-toc-title-toggle\"><a href=\"#\" class=\"ez-toc-pull-right ez-toc-btn ez-toc-btn-xs ez-toc-btn-default ez-toc-toggle\" aria-label=\"Toggle Table of Content\"><span class=\"ez-toc-js-icon-con\"><span class=\"\"><span class=\"eztoc-hide\" style=\"display:none;\">Toggle<\/span><span class=\"ez-toc-icon-toggle-span\"><svg style=\"fill: #999;color:#999\" xmlns=\"http:\/\/www.w3.org\/2000\/svg\" class=\"list-377408\" width=\"20px\" height=\"20px\" viewBox=\"0 0 24 24\" fill=\"none\"><path d=\"M6 6H4v2h2V6zm14 0H8v2h12V6zM4 11h2v2H4v-2zm16 0H8v2h12v-2zM4 16h2v2H4v-2zm16 0H8v2h12v-2z\" fill=\"currentColor\"><\/path><\/svg><svg style=\"fill: #999;color:#999\" class=\"arrow-unsorted-368013\" xmlns=\"http:\/\/www.w3.org\/2000\/svg\" width=\"10px\" 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\u7684\u5e8f\u5217\u7a7a\u95f4\u6269\u6563\u6a21\u578b<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-1'><a class=\"ez-toc-link ez-toc-heading-3\" href=\"https:\/\/17aitech.com\/?p=35840\/#%E8%AE%BE%E8%AE%A1%E5%A4%9A%E7%8A%B6%E6%80%81%E5%92%8C%E5%8A%9F%E8%83%BD%E8%9B%8B%E7%99%BD\" >\u8bbe\u8ba1\u591a\u72b6\u6001\u548c\u529f\u80fd\u86cb\u767d<\/a><ul class='ez-toc-list-level-2' ><li class='ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-4\" href=\"https:\/\/17aitech.com\/?p=35840\/#%E5%AF%8C%E5%90%AB%E7%A8%80%E6%9C%89%E6%B0%A8%E5%9F%BA%E9%85%B8%E7%9A%84%E8%9B%8B%E7%99%BD%E8%B4%A8%E7%9A%84%E8%AE%BE%E8%AE%A1\" >\u5bcc\u542b\u7a00\u6709\u6c28\u57fa\u9178\u7684\u86cb\u767d\u8d28\u7684\u8bbe\u8ba1<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-5\" href=\"https:\/\/17aitech.com\/?p=35840\/#%E5%BA%8F%E5%88%97%E9%87%8D%E5%A4%8D%E8%9B%8B%E7%99%BD%E7%9A%84%E8%AE%BE%E8%AE%A1\" 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class=\"ez-toc-section-end\"><\/span><\/h1>\n<p>\u86cb\u767d\u8d28\u529f\u80fd\u6e90\u4e8e\u5e8f\u5217\u548c\u7ed3\u6784\u7279\u5f81\u7684\u590d\u6742\u76f8\u4e92\u4f5c\u7528\uff1b\u56e0\u6b64\uff0c\u8bbe\u8ba1\u65b0\u7684\u86cb\u767d\u8d28\u529f\u80fd\u9700\u8981\u5bf9\u5e8f\u5217\u548c\u7ed3\u6784\u7a7a\u95f4\u8fdb\u884c\u63a8\u7406\u3002<\/p>\n<p>\u8bb8\u591a\u86cb\u767d\u8d28\u8bbe\u8ba1\u65b9\u6cd5\u5206\u6b65\u5bf9\u7ed3\u6784\u548c\u5e8f\u5217\u8fdb\u884c\u91c7\u6837\uff0c\u901a\u5e38\u5148\u751f\u6210\u86cb\u767d\u8d28\u4e3b\u94fe\uff0c\u7136\u540e\u4f7f\u7528\u9006\u6298\u53e0\u65b9\u6cd5\u751f\u6210\u5e8f\u5217\u3002<\/p>\n<p>\u4f20\u7edf\u65b9\u6cd5\uff0c\u5982 Rosetta \u7075\u6d3b\u4e3b\u94fe\u86cb\u767d\u8d28\u8bbe\u8ba1\uff0c\u5728\u7ed3\u6784\u548c\u5e8f\u5217\u8bbe\u8ba1\u4e4b\u95f4\u4ea4\u66ff\u8fdb\u884c\uff0c\u800c\u6700\u8fd1\u57fa\u4e8e<mark data-id=\"01946acc-d031-4c0e-909c-f062643b7273\" data-type=\"tech_methods\">\u6df1\u5ea6\u5b66\u4e60<\/mark>\u7684\u65b9\u6cd5\u901a\u5e38\u5148\u751f\u6210\u4e3b\u94fe\uff0c\u7136\u540e\u4f7f\u7528\u5e8f\u5217\u8bbe\u8ba1\u65b9\u6cd5\uff0c\u5982 ProteinMPNN (MPNN)\uff0c\u6765\u8bc6\u522b\u6298\u53e0\u6210\u7ed9\u5b9a\u4e3b\u94fe\u7684\u5e8f\u5217\u3002\u5728\u540e\u4e00\u7c7b\u65b9\u6cd5\u4e2d\uff0c\u53bb\u566a\u6269\u6563\u6982\u7387\u6a21\u578b (DDPM) \u5728\u8fde\u7eed\u6570\u636e\u9886\u57df\u663e\u793a\u51fa\u76f8\u5f53\u5927\u7684\u524d\u666f\uff0c\u5b83\u5141\u8bb8\u751f\u6210\u53d7\u5e7f\u6cdb\u7ed3\u6784\u7ea6\u675f\u7684\u86cb\u767d\u8d28\u4e3b\u94fe\u3002<\/p>\n<p>DDPM \u901a\u8fc7\u5b66\u4e60\u5bf9\u53d7\u9ad8\u65af\u566a\u58f0\u7834\u574f\u7684\u6837\u672c\u8fdb\u884c\u53bb\u566a\u6765\u8fd1\u4f3c\u6570\u636e\u5206\u5e03\u4e0a\u7684\u6982\u7387\u5bc6\u5ea6\u51fd\u6570\uff0c\u4ece\u800c\u80fd\u591f\u4ece\u9ad8\u65af\u5148\u9a8c\u4e2d\u751f\u6210\u9ad8\u8d28\u91cf\u6837\u672c\uff1b\u5b83\u4eec\u5728\u86cb\u767d\u8d28\u5e8f\u5217\u4e2d\u7684\u63a2\u7d22\u8f83\u5c11\u3002<\/p>\n<h1><span class=\"ez-toc-section\" id=\"PG%EF%BC%9A%E5%9F%BA%E4%BA%8E_RoseTTAFold_%E7%9A%84%E5%BA%8F%E5%88%97%E7%A9%BA%E9%97%B4%E6%89%A9%E6%95%A3%E6%A8%A1%E5%9E%8B\"><\/span><strong>PG\uff1a\u57fa\u4e8e RoseTTAFold \u7684\u5e8f\u5217\u7a7a\u95f4\u6269\u6563\u6a21\u578b<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h1>\n<p>\u7814\u7a76\u4eba\u5458\u63a8\u65ad\uff0c\u5728\u5e8f\u5217\u7a7a\u95f4\u800c\u4e0d\u662f\u7ed3\u6784\u7a7a\u95f4\u4e2d\u8fdb\u884c\u6269\u6563\uff0c\u53ef\u4ee5\u4f7f\u7528\u57fa\u4e8e\u5e8f\u5217\u7684\u7279\u5f81\u6307\u5bfc\u8bbe\u8ba1\uff0c\u5e76\u53ef\u4ee5\u660e\u786e\u5730\u8bbe\u8ba1\u5305\u542b\u591a\u4e2a\u72b6\u6001\u7684\u5e8f\u5217\u3002<\/p>\n<p>\u4e3a\u4e86\u80fd\u591f\u5bf9\u5e8f\u5217\u548c\u7ed3\u6784\u7279\u5f81\u8fdb\u884c\u8c03\u8282\uff0c\u7814\u7a76\u4eba\u5458\u4ece RoseTTAFold \u7ed3\u6784\u9884\u6d4b\u7f51\u7edc\u5f00\u59cb\uff0c\u5c06\u5176\u89c6\u4e3a\u4ece\u8f93\u5165\u5e8f\u5217\u548c\u7ed3\u6784\u4fe1\u606f\u5230\u8f93\u51fa\u5e8f\u5217\u548c\u7ed3\u6784\u7684<mark data-id=\"8ec6a68f-ad96-4b85-ab72-6f8931886922\" data-type=\"concepts\">\u6620\u5c04<\/mark>\uff0c\u5c31\u50cf RFdiffusion \u7684\u60c5\u51b5\u4e00\u6837\u3002\u63a8\u65ad RoseTTAFold \u53ef\u4ee5\u9002\u5e94\u5e8f\u5217\u7a7a\u95f4\u6269\u6563\uff0c\u901a\u8fc7\u5bf9\u86cb\u767d\u8d28<mark data-id=\"700f9c0f-1e8b-4fde-8bae-6de39c13f022\" data-type=\"concepts\">\u6570\u636e\u5e93<\/mark> (PDB\uff1b<em>http:\/\/www.rcsb.org\/<\/em>) \u4e2d\u7684\u86cb\u767d\u8d28\u5e8f\u5217\u8fdb\u884c\u566a\u58f0\u5904\u7406\uff0c\u5e76\u8fdb\u884c\u8bad\u7ec3\u4ee5\u6d88\u9664\u566a\u58f0\uff0c\u540c\u65f6\u5bf9\u7ed3\u6784\u9884\u6d4b\u7cbe\u5ea6\u9020\u6210\u635f\u5931\uff0c\u4ece\u800c\u786e\u4fdd\u751f\u6210\u7684\u6a21\u578b\u5bf9\u5e8f\u5217\u548c\u7ed3\u6784\u90fd\u6709\u6df1\u5165\u7684\u7406\u89e3\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-edadf8824b92e150390b51d786da72b6.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-edadf8824b92e150390b51d786da72b6.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1aPG \u6982\u89c8\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n<p>PG \u5728\u65e0\u6761\u4ef6\u8bbe\u8ba1\u51c6\u786e\u5ea6\u65b9\u9762\u4f18\u4e8e\u65e9\u671f\u7684\u5e7b\u89c9\u65b9\u6cd5\uff0c\u5e76\u4e14\u5728\u4ece\u4e0d\u540c\u7684<mark data-id=\"ae777f78-1151-462d-ba6b-07478bca4e6b\" data-type=\"tech_methods\">\u9ad8\u65af\u6df7\u5408\u6a21\u578b<\/mark>\u4e2d\u91c7\u6837\u65f6\u4f1a\u751f\u6210\u7ed3\u6784\u591a\u6837\u7684\u86cb\u767d\u8d28\u3002PG \u5f88\u5bb9\u6613\u8bbe\u8ba1\u51fa\u652f\u6491\u7279\u5b9a\u7ed3\u6784\u57fa\u5e8f\u7684\u86cb\u767d\u8d28\uff1b\u901a\u8fc7 ESM \u4f2a\u56f0\u60d1\u5ea6\u6d4b\u91cf\u7684 PG \u5e8f\u5217\u8d28\u91cf\u4e0e\u4ece UniProt \u91c7\u6837\u7684\u5929\u7136\u5e8f\u5217\u6ca1\u6709\u533a\u522b\uff0c\u5e76\u4e14\u660e\u663e\u9ad8\u4e8e\u4f7f\u7528 6.4 \u4ebf<mark data-id=\"2e982b73-88e2-41e8-a430-f7ae5a9af4bf\" data-type=\"concepts\">\u53c2\u6570<\/mark>\u5e8f\u5217\u6269\u6563\u6a21\u578b\u00a0EvoDiff\u00a0\u751f\u6210\u7684\u5e8f\u5217\u3002<\/p>\n<p>\u4f7f\u7528 PG \u8fdb\u884c\u65e0\u6761\u4ef6\u751f\u6210\u53ef\u4ea7\u751f\u6c28\u57fa\u9178\u7ec4\u6210\u4e0e\u5929\u7136\u86cb\u767d\u8d28\u76f8\u4f3c\u7684\u5e8f\u5217-\u7ed3\u6784\u5bf9\u3002<\/p>\n<h1><span class=\"ez-toc-section\" id=\"%E8%AE%BE%E8%AE%A1%E5%A4%9A%E7%8A%B6%E6%80%81%E5%92%8C%E5%8A%9F%E8%83%BD%E8%9B%8B%E7%99%BD\"><\/span><strong>\u8bbe\u8ba1\u591a\u72b6\u6001\u548c\u529f\u80fd\u86cb\u767d<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h1>\n<p>\u8ba1\u7b97\u6a21\u62df\u548c\u5b9e\u9a8c\u7ed3\u679c\u8868\u660e\uff0cPG \u53ef\u4ee5\u8f7b\u677e\u4ece\u5934\u751f\u6210\u5404\u79cd\u86cb\u767d\u8d28\uff0c\u8fd9\u4e9b\u86cb\u767d\u8d28\u53d7\u5230\u5404\u79cd\u5e8f\u5217\u57df\u7ea6\u675f\u7684\u5f71\u54cd\uff0c\u5305\u62ec\u6c28\u57fa\u9178\u7ec4\u6210\u504f\u5dee\u3001\u91cd\u590d\u5e8f\u5217\u5bf9\u79f0\u6027\u3001\u751f\u7269\u6d3b\u6027\u80bd\u7b3c\u548c\u591a\u6001\u8bbe\u8ba1\u3002<\/p>\n<h2><span class=\"ez-toc-section\" id=\"%E5%AF%8C%E5%90%AB%E7%A8%80%E6%9C%89%E6%B0%A8%E5%9F%BA%E9%85%B8%E7%9A%84%E8%9B%8B%E7%99%BD%E8%B4%A8%E7%9A%84%E8%AE%BE%E8%AE%A1\"><\/span><strong>\u5bcc\u542b\u7a00\u6709\u6c28\u57fa\u9178\u7684\u86cb\u767d\u8d28\u7684\u8bbe\u8ba1<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h2>\n<p>\u4e3a\u4e86\u8bc4\u4f30 PG \u5728 PDB \u8bad\u7ec3\u5206\u5e03\u4e4b\u5916\u63a8\u7406\u5e8f\u5217\u7ed3\u6784\u5173\u7cfb\u7684\u80fd\u529b\uff0c\u7814\u7a76\u4eba\u5458\u8bd5\u56fe\u8bbe\u8ba1\u5bcc\u542b\u8fdb\u5316<mark data-id=\"746cdb5c-f754-4f4c-9e66-c1fad05132b7\" data-type=\"tech_methods\">\u6b20\u91c7\u6837<\/mark>\u6c28\u57fa\u9178\u7684\u86cb\u767d\u8d28\uff0c\u8fd9\u4e9b\u6c28\u57fa\u9178\u8d4b\u4e88\u7ed3\u6784\u6216\u529f\u80fd\u7279\u6027\u3002<\/p>\n<p>\u4f7f\u7528\u6b64\u7a0b\u5e8f\u751f\u6210\u8272\u6c28\u9178\u3001\u534a\u80f1\u6c28\u9178\u3001\u7f2c\u6c28\u9178\u3001\u7ec4\u6c28\u9178\u548c\u86cb\u6c28\u9178\u7684\u9ad8\u9891\u7387\uff0820% \u7ec4\u6210\uff09\u86cb\u767d\u8d28\uff0c\u5176\u5e8f\u5217\u4e0e\u5929\u7136\u86cb\u767d\u8d28\u7684\u5e8f\u5217\u975e\u5e38\u4e0d\u540c\u3002\u5bf9\u751f\u6210\u7684\u8bbe\u8ba1\u8fdb\u884c\u7b5b\u9009\uff0c\u4ee5\u83b7\u5f97\u9ad8 AF2 \u7f6e\u4fe1\u5ea6 (pLDDT\u2009&gt;\u200990) \u548c\u81ea\u6d3d\u6027 (\u8bbe\u8ba1\u7684 RMSD\u2009&lt;\u20092\u2009\u00c5)\uff0c\u5e76\u9009\u53d6 96 \u4e2a\u8fdb\u884c\u5b9e\u9a8c\u8868\u5f81\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-10b8f4a16dad129563082b7113feb501.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-10b8f4a16dad129563082b7113feb501.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1a\u5177\u6709\u6307\u5b9a\u5e8f\u5217\u7ec4\u6210\u7684\u86cb\u767d\u8d28\u7684\u8bbe\u8ba1\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n<p>\u7ed3\u679c\u8868\u660e\uff0cPG \u53ef\u4ee5\u63a8\u7406\u8d85\u51fa\u5929\u7136\u86cb\u767d\u8d28\u6837\u5e8f\u5217\u7ec4\u6210\u7684\u5e8f\u5217-\u7ed3\u6784\u5173\u7cfb\uff0c\u4ece\u800c\u8bbe\u8ba1\u5177\u6709\u6240\u9700\u5e8f\u5217\u7279\u6027\u7684\u6298\u53e0\u3001\u70ed\u7a33\u5b9a\u6027\u86cb\u767d\u8d28\u3002<\/p>\n<h2><span class=\"ez-toc-section\" id=\"%E5%BA%8F%E5%88%97%E9%87%8D%E5%A4%8D%E8%9B%8B%E7%99%BD%E7%9A%84%E8%AE%BE%E8%AE%A1\"><\/span><strong>\u5e8f\u5217\u91cd\u590d\u86cb\u767d\u7684\u8bbe\u8ba1<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h2>\n<p>\u542b\u6709\u5e8f\u5217\u7ed3\u6784\u5355\u5143\u4e32\u8054\u62f7\u8d1d\u7684\u91cd\u590d\u86cb\u767d\u5728\u81ea\u7136\u754c\u4e2d\u666e\u904d\u5b58\u5728\uff0c\u5728\u5206\u5b50\u8bc6\u522b\u548c\u4fe1\u53f7\u4f20\u5bfc\u4e2d\u8d77\u7740\u6838\u5fc3\u4f5c\u7528\u3002<\/p>\n<p>PG \u53ef\u4ee5\u5f88\u5bb9\u6613\u5730\u9002\u5e94\u751f\u6210\u91cd\u590d\u86cb\u767d\uff0c\u53ea\u9700\u7ed9\u5b9a\u91cd\u590d\u5355\u5143\u7684\u5e8f\u5217\u957f\u5ea6\u548c\u6240\u9700\u7684\u91cd\u590d\u6b21\u6570\uff0c\u5728\u6bcf\u4e2a\u65f6\u95f4\u6b65\u957f\u4e0a\u5c06\u91cd\u590d\u5bf9\u79f0\u6027\u5e94\u7528\u4e8e\u566a\u58f0\u5e8f\u5217\u5206\u5e03\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-7d341f19dfface6e03cb34ddc7fc38ad.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-7d341f19dfface6e03cb34ddc7fc38ad.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1a\u4f7f\u7528 PG \u8bbe\u8ba1\u5e8f\u5217\u91cd\u590d\u86cb\u767d\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n<p>\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u5b9e\u9a8c\u8868\u5f81\u4e86 74 \u79cd\u5e26\u87ba\u65cb\u5e3d\u7684\u91cd\u590d\u86cb\u767d\u548c 86 \u79cd\u4e0d\u5e26\u87ba\u65cb\u5e3d\u7684\u91cd\u590d\u86cb\u767d\u3002\u5176\u4e2d\uff0c27 \u79cd\u5e26\u5e3d\u7684\u91cd\u590d\u86cb\u767d\u548c 10 \u79cd\u4e0d\u5e26\u87ba\u65cb\u5e3d\u7684\u91cd\u590d\u86cb\u767d\u901a\u8fc7 SEC \u53ef\u6eb6\u4e14\u4e3a\u5355\u4f53\uff0c\u4f7f\u7528\u5706\u4e8c\u8272\u6027\u8bc4\u4f30\u7684 8 \u79cd\u86cb\u767d\u4e2d\u6709 7 \u79cd\u5177\u6709\u9884\u671f\u7684\u4e8c\u7ea7\u7ed3\u6784\u3002\u89e3\u6790\u4e86\u7531\u56db\u87ba\u65cb\u675f\u4e0d\u5bf9\u79f0\u5355\u5143\u7ec4\u6210\u7684\u4e94\u91cd\u590d\u5355\u5143\u8bbe\u8ba1\u7684\u6676\u4f53\u7ed3\u6784\uff0c\u53d1\u73b0\u8be5\u8bbe\u8ba1\u5177\u6709\u539f\u5b50\u7cbe\u5ea6\uff1a\u8bbe\u8ba1\u4e0e\u6676\u4f53\u7ed3\u6784\u7684 C RMSD \u4e3a\u6574\u4e2a\u7ed3\u6784 1.38 \u00c5\uff0c\u4e0d\u5bf9\u79f0\u5355\u5143 0.47 \u00c5\u3002<\/p>\n<h2><span class=\"ez-toc-section\" id=\"%E7%94%9F%E7%89%A9%E6%B4%BB%E6%80%A7%E8%82%BD%E7%AC%BC%E7%9A%84%E8%AE%BE%E8%AE%A1\"><\/span><strong>\u751f\u7269\u6d3b\u6027\u80bd\u7b3c\u7684\u8bbe\u8ba1<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h2>\n<p>\u8bbe\u8ba1\u6d3b\u6027\u53d6\u51b3\u4e8e\u5916\u90e8\u8f93\u5165\u7684\u86cb\u767d\u8d28\u5bf9\u4e8e\u5177\u6709\u7a7a\u95f4\u548c\u65f6\u95f4\u63a7\u5236\u7684\u6cbb\u7597\u5242\u548c\u751f\u7269\u4f20\u611f\u5668\u7684\u8bbe\u8ba1\u5177\u6709\u76f8\u5f53\u5927\u7684\u610f\u4e49\u3002<\/p>\n<p>\u7ed9\u5b9a\u80bd\u5e8f\u5217\u548c\u652f\u67b6\u957f\u5ea6\uff0cPG \u4f1a\u751f\u6210\u5305\u542b\u80bd\u5e8f\u5217\u4f5c\u4e3a\u86cb\u767d\u8d28\u7ed3\u6784\u7ec4\u6210\u90e8\u5206\u7684\u8bbe\u8ba1\uff0c\u9884\u8ba1\u6298\u53e0\u81f3\u8bbe\u8ba1\u7684\u652f\u67b6\u7684\u6298\u53e0\u65f6\u95f4\u5927\u4e8e 85 pLDDT\uff0cRMSD \u5c0f\u4e8e 2 \u00c5\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-2e402a04cdcf78c831c6e70ec3f60fdc.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/09\/frc-2e402a04cdcf78c831c6e70ec3f60fdc.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1a\u7528 PG \u642d\u5efa\u751f\u7269\u6d3b\u6027\u80bd\u548c\u5185\u5728\u6761\u5f62\u7801\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n<p>\u7814\u7a76\u4f7f\u7528 PG \u8bbe\u8ba1\u4e86\u5c06\u6210\u5b54\u80bd\u8702\u6bd2\u80bd\u56da\u7981\u7684\u86cb\u767d\u8d28\uff0c\u8be5\u86cb\u767d\u8d28\u53ef\u5728\u672b\u7aef\u73af\u7684\u86cb\u767d\u6c34\u89e3\u88c2\u89e3\u540e\u6709\u6761\u4ef6\u5730\u91ca\u653e\u3002<\/p>\n<p>\u5c3d\u7ba1\u8702\u6bd2\u7d20\u5728\u5206\u79bb\u65f6\u5904\u4e8e\u65e0\u5e8f\u72b6\u6001\uff0cPG \u4ecd\u80fd\u591f\u751f\u6210\u8702\u6bd2\u7d20\u5e8f\u5217\u5448\u87ba\u65cb\u7ed3\u6784\u7684\u6eb6\u6db2\uff0c\u968f\u540e\u5bf9\u5176\u8fdb\u884c\u4e86\u5b9e\u9a8c\u6d4b\u8bd5\u3002\u5728 13 \u79cd\u5b9e\u9a8c\u8868\u5f81\u7684\u8bbe\u8ba1\u4e2d\uff0c\u6709 5 \u79cd\u901a\u8fc7 SEC 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