{"id":36818,"date":"2025-01-19T07:00:34","date_gmt":"2025-01-18T23:00:34","guid":{"rendered":"https:\/\/17aitech.com\/?p=36818"},"modified":"2025-01-19T07:00:34","modified_gmt":"2025-01-18T23:00:34","slug":"%e9%ab%98%e7%b2%be%e5%ba%a6%e9%a2%84%e6%b5%8b%e8%9b%8b%e7%99%bd%e6%9e%84%e8%b1%a1%e5%8f%98%e5%8c%96%ef%bc%8c%e4%b8%ad%e5%9b%bd%e7%a7%91%e5%a4%a7%e3%80%81%e4%b8%8a%e7%a7%91%e5%a4%a7%e9%80%9a%e7%94%a8","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=36818","title":{"rendered":"\u9ad8\u7cbe\u5ea6\u9884\u6d4b\u86cb\u767d\u6784\u8c61\u53d8\u5316\uff0c\u4e2d\u56fd\u79d1\u5927\u3001\u4e0a\u79d1\u5927\u901a\u7528\u6df1\u5ea6\u5b66\u4e60\u6a21\u578b"},"content":{"rendered":"<p>\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:<a href=\"https:\/\/www.jiqizhixin.com\/articles\/2024-11-25-9\" target=\"_blank\">\u9ad8\u7cbe\u5ea6\u9884\u6d4b\u86cb\u767d\u6784\u8c61\u53d8\u5316\uff0c\u4e2d\u56fd\u79d1\u5927\u3001\u4e0a\u79d1\u5927\u901a\u7528\u6df1\u5ea6\u5b66\u4e60\u6a21\u578b<\/a><\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-cb3fe78ad7825a83df2831581e0f34f6.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-cb3fe78ad7825a83df2831581e0f34f6.png\"><\/a><\/p>\n<p>\u7f16\u8f91 | KX<\/p>\n<p>\u9884\u6d4b\u86cb\u767d\u8d28\u6784\u8c61\u53d8\u5316\u662f\u8ba1\u7b97\u751f\u7269\u5b66\u548c<mark data-type=\"concepts\" data-id=\"2d28aa9c-942d-471d-bd96-8bfefb7144e0\">\u4eba\u5de5\u667a\u80fd<\/mark>\u9886\u57df\u7684\u4e00\u5927\u6311\u6218\u3002\u4e3b\u6d41\u7684 <mark data-type=\"tech_methods\" data-id=\"c91750dd-3ddd-49bf-8f95-7ab4bc48a526\">AlphaFold<\/mark> 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data-id=\"700f9c0f-1e8b-4fde-8bae-6de39c13f022\">\u6570\u636e\u5e93<\/mark>\u3002\u7814\u7a76\u6a21\u62df\u4e86 2635 \u79cd\u5df2\u77e5\u4e24\u79cd\u7a33\u5b9a\u72b6\u6001\u7684\u86cb\u767d\u8d28\u7684\u6784\u8c61\u53d8\u5316\uff0c\u5e76\u6536\u96c6\u4e86\u6bcf\u6761\u8f6c\u53d8\u9014\u5f84\u7684\u7ed3\u6784\u4fe1\u606f\u3002\u5229\u7528\u8fd9\u4e2a<mark data-type=\"concepts\" data-id=\"700f9c0f-1e8b-4fde-8bae-6de39c13f022\">\u6570\u636e\u5e93<\/mark>\uff0c\u5f00\u53d1\u4e86\u4e00\u4e2a\u80fd\u591f\u9884\u6d4b\u7ed9\u5b9a\u86cb\u767d\u8d28\u8f6c\u53d8\u9014\u5f84\u7684\u901a\u7528<mark data-type=\"tech_methods\" data-id=\"01946acc-d031-4c0e-909c-f062643b7273\">\u6df1\u5ea6\u5b66\u4e60<\/mark>\u6a21\u578b\u3002<\/p>\n<p>\u8be5\u6a21\u578b\u5bf9\u4e0d\u540c\u5e8f\u5217\u957f\u5ea6\uff08\u4ece 44 \u5230 704 \u4e2a\u6c28\u57fa\u9178\uff09\u7684\u86cb\u767d\u8d28\u8868\u73b0\u51fa\u666e\u904d\u7684\u7a33\u5065\u6027\uff0c\u5e76\u9002\u5e94\u4e0d\u540c\u7c7b\u578b\u7684\u6784\u8c61\u53d8\u5316\u3002\u5728\u51e0\u4e2a\u7cfb\u7edf\u4e2d\uff0c\u9884\u6d4b\u548c\u5b9e\u9a8c\u6570\u636e\u7ed3\u679c\u9ad8\u5ea6\u4e00\u81f4\uff0c\u5e76\u6210\u529f\u5730\u5e94\u7528\u8be5\u6a21\u578b\u6765\u8bc6\u522b\u4e00\u4e2a\u91cd\u8981\u751f\u7269\u7cfb\u7edf\u2014\u2014\u4eba\u7c7b \u03b2-\u5fc3\u810f\u808c\u7403\u86cb\u767d\u4e2d\u7684\u4e00\u79cd\u65b0\u7684\u53d8\u6784\u8c03\u63a7\u3002<\/p>\n<p>\u8fd9\u4e9b\u7ed3\u679c\u8bc1\u660e\u4e86\u8be5\u6a21\u578b\u5728\u63ed\u793a\u86cb\u767d\u8d28\u6784\u8c61\u53d8\u5316\u672c\u8d28\u65b9\u9762\u7684\u6709\u6548\u6027\u3002<\/p>\n<p>\u76f8\u5173\u7814\u7a76\u4ee5\u300c<em>Exploring Protein Conformational Changes Using a Large-Scale Biophysical Sampling Augmented Deep Learning Strategy<\/em>\u300d\u4e3a\u9898\uff0c\u53d1\u8868\u5728\u300a<em>Advanced Science<\/em>\u300b\u4e0a\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-085e8883f1b7419e520649ea4eb91810.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-085e8883f1b7419e520649ea4eb91810.png\"><\/a><\/p>\n<section>\u8bba\u6587\u94fe\u63a5\uff1a<em>https:\/\/doi.org\/10.1002\/advs.202400884<\/em><\/section>\n<div id=\"ez-toc-container\" class=\"ez-toc-v2_0_85 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\" 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data-id=\"8ec6a68f-ad96-4b85-ab72-6f8931886922\">\u6620\u5c04<\/mark>\u5230\u4f4e\u7ef4\u6f5c\u5728\u7a7a\u95f4\u3002\u7136\u800c\uff0c\u8fd9\u4e9b\u6a21\u578b\u4f9d\u8d56\u4e8e\u4e24\u79cd\u72b6\u6001\u4e4b\u95f4\u7684\u7ebf\u6027\u8def\u5f84\uff0c\u8fd9\u4e0d\u9002\u7528\u4e8e\u590d\u6742\u7684\u975e\u7ebf\u6027\u8f6c\u6362\uff0c\u4f8b\u5982\u500d\u6570\u5207\u6362\u3002\u66f4\u91cd\u8981\u7684\u662f\uff0c\u9ad8\u6570\u636e\u9700\u6c42\u548c\u4f4e\u6570\u636e\u6548\u7387\uff0c\u4ee5\u53ca\u963b\u788d\u5b9e\u65f6\u53ef\u6269\u5c55\u5e94\u7528\u7684\u8ba1\u7b97\u6210\u672c\uff0c\u4f7f\u5f97\u8fd9\u4e9b\u65b9\u6cd5\u672c\u8eab\u65e0\u6cd5\u4ee4\u4eba\u6ee1\u610f\u3002<\/p>\n<h1><span class=\"ez-toc-section\" id=\"%E6%A8%A1%E6%8B%9F_2635_%E7%A7%8D%E8%9B%8B%E7%99%BD%E8%B4%A8%E7%9A%84%E6%9E%84%E8%B1%A1%E5%8F%98%E5%8C%96\"><\/span><strong>\u6a21\u62df 2635 \u79cd\u86cb\u767d\u8d28\u7684\u6784\u8c61\u53d8\u5316<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h1>\n<p>\u53d7<mark data-type=\"tech_methods\" data-id=\"01946acc-d031-4c0e-909c-f062643b7273\">\u6df1\u5ea6\u5b66\u4e60<\/mark>\u5728\u9884\u6d4b\u9759\u6001\u86cb\u767d\u8d28\u7ed3\u6784\u65b9\u9762\u7684\u6210\u529f\u542f\u53d1\uff0c\u7814\u7a76\u4eba\u5458\u73b0\u5728\u6b63\u5728\u79ef\u6781\u63a2\u7d22\u5176\u4ed6\u65e8\u5728\u9884\u6d4b\u86cb\u767d\u8d28\u6784\u8c61\u53d8\u5316\u7684<mark data-type=\"tech_methods\" data-id=\"01946acc-d031-4c0e-909c-f062643b7273\">\u6df1\u5ea6\u5b66\u4e60<\/mark>\u7b97\u6cd5\u3002\u5176\u4e3b\u8981\u6311\u6218\u5728\u4e8e\u8868\u5f81\u4e0d\u540c\u6784\u8c61\u8f6c\u53d8\u7684\u8bad\u7ec3\u6570\u636e\u6709\u9650\u3002<\/p>\n<p>\u5728\u6b64\uff0c\u4e2d\u79d1\u5927\u56e2\u961f\u91c7\u53d6\u4e86\u66f4\u76f4\u63a5\u7684\u65b9\u6cd5\u6765\u5f25\u8865\u6570\u636e\u77ed\u7f3a\u7684\u95ee\u9898\u3002\u901a\u8fc7\u7ed3\u5408\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u548c\u589e\u5f3a\u91c7\u6837\u65b9\u6cd5\uff0c\u5e7f\u6cdb\u6a21\u62df\u4e86 2635 \u79cd\u86cb\u767d\u8d28\u7684\u6784\u8c61\u53d8\u5316\uff0c\u5176\u4e2d\u5305\u542b\u4e24\u79cd\u5b9e\u9a8c\u786e\u5b9a\u7684\u72b6\u6001\uff0c\u5373\u5355\u72b6\u6001 (SS) \u548c\u591a\u72b6\u6001 (MS) \uff0c\u5e76\u76f4\u63a5\u83b7\u5f97\u4e86\u7ec4\u6210\u8f6c\u6362\u9014\u5f84\u7684\u7ed3\u6784\u3002<\/p>\n<p>SS \u548c MS \u86cb\u767d\u8d28\u6570\u636e\u96c6\u7684\u521b\u5efa\u6d89\u53ca\u5bf9\u86cb\u767d\u8d28<mark data-type=\"concepts\" data-id=\"700f9c0f-1e8b-4fde-8bae-6de39c13f022\">\u6570\u636e\u5e93<\/mark> (PDB) \u4e2d\u7684\u7ed3\u6784\u8fdb\u884c\u5168\u9762\u641c\u7d22\u548c\u6bd4\u8f83\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-ce9ec36ca3e805f8376400f567a0aad9.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-ce9ec36ca3e805f8376400f567a0aad9.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1a\u521b\u5efa\u5355\u72b6\u6001 (SS) \u548c\u591a\u72b6\u6001 (MS) \u86cb\u767d\u8d28\u6570\u636e\u96c6\u3002A) \u6570\u636e\u96c6\u521b\u5efa\u7684\u5de5\u4f5c\u6d41\u7a0b\u3002B) MS \u6570\u636e\u96c6\u4e2d\u56db\u4e2a\u7c7b\u522b\u7684\u7edf\u8ba1\u5206\u6790\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n<p>SS \u6570\u636e\u96c6\u5171\u5305\u542b 3454 \u4e2a\u6761\u76ee\uff0c\u5305\u62ec\u5728\u5b9e\u9a8c\u7814\u7a76\u4e2d\u89c2\u5bdf\u5230\u7684\u5177\u6709\u9ad8\u5ea6<mark data-type=\"concepts\" data-id=\"3bf78775-1316-4ac0-bd99-10e2fc88c439\">\u6536\u655b<\/mark>\u6784\u8c61\u7684\u86cb\u767d\u8d28\u3002\u76f8\u6bd4\u4e4b\u4e0b\uff0cMS \u6570\u636e\u96c6\u5305\u542b 2635 \u79cd\u86cb\u767d\u8d28\uff08\u6bcf\u79cd\u86cb\u767d\u8d28\u5728 PDB \u4e2d\u90fd\u6709\u4e24\u79cd\u7ed3\u6784\uff09\uff0c\u8fd9\u4e9b\u86cb\u767d\u8d28\u8868\u73b0\u51fa\u663e\u8457\u7684\u6784\u8c61\u53d8\u5316\uff0c\u5b9a\u4e49\u4e3a\u5747\u65b9\u6839\u504f\u5dee (RMSD) &gt;5 \u00c5\u3002<\/p>\n<p>\u8be5\u6570\u636e\u96c6\u53ef\u8fdb\u4e00\u6b65\u5206\u4e3a\u56db\u4e2a\u5b50\u7c7b\uff1a\u521a\u4f53\u7ed3\u6784\u57df\u79fb\u52a8\uff08rigid-body domain movement\uff09\u3001\u6709\u9650\u7684\u7ed3\u6784\u91cd\u6392\uff08limited structural rearrangement\uff09\u3001\u6298\u53e0-\u5c55\u5f00\u5207\u6362\uff08fold-unfold switches\uff09\u3001\u5168\u5c40\u6298\u53e0\u53d8\u5316\uff08global fold changes \uff09\u3002<\/p>\n<h1><span class=\"ez-toc-section\" id=\"%E9%AB%98%E7%B2%BE%E5%BA%A6%E9%A2%84%E6%B5%8B%E8%9B%8B%E7%99%BD%E8%BD%AC%E5%8F%98%E9%80%94%E5%BE%84%E7%9A%84%E9%80%9A%E7%94%A8_AI_%E6%A8%A1%E5%9E%8B\"><\/span><strong>\u9ad8\u7cbe\u5ea6\u9884\u6d4b\u86cb\u767d\u8f6c\u53d8\u9014\u5f84\u7684\u901a\u7528 AI \u6a21\u578b<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h1>\n<p>\u8be5\u6570\u636e\u96c6\u4f7f\u7528\u4e00\u79cd\u79f0\u4e3a PATHpre \u7684\u6574\u4f53<mark data-type=\"tech_methods\" data-id=\"01946acc-d031-4c0e-909c-f062643b7273\">\u6df1\u5ea6\u5b66\u4e60<\/mark>\u6a21\u578b\uff0c\u53ef\u4ee5\u9ad8\u7cbe\u5ea6\u5730\u9884\u6d4b\u5bfc\u81f4\u6784\u8c61\u8f6c\u53d8\u7684\u7ed3\u6784\u9014\u5f84\u3002<\/p>\n<p>PATHpre \u4e2d HESpre \u6a21\u5757\u7684\u6838\u5fc3\u521b\u65b0\u5728\u4e8e\u9884\u6d4b\u8f6c\u53d8\u9014\u5f84\u4e2d\u9ad8\u80fd\u72b6\u6001\u7684\u6027\u80fd\u3002\u6240\u63d0\u51fa\u7684\u6a21\u578b\u5bf9\u4e0d\u540c\u6784\u8c61\u7684\u86cb\u767d\u8d28\u5177\u6709\u6781\u5927\u7684\u901a\u7528\u6027\u3002\u8fd9\u610f\u5473\u7740\u5b83\u5bf9\u590d\u6742\u7cfb\u7edf\u4e2d\u7684\u52a8\u529b\u5b66\u884c\u4e3a\u5efa\u6a21\u505a\u51fa\u4e86\u5de8\u5927\u8d21\u732e\uff0c\u5728\u65b9\u6cd5\u7ea7\u522b\u5e94\u7528\u4e86\u53ef\u6269\u5c55\u6027\u548c\u6570\u636e\u6548\u7387\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-c03654379e8c8b0065718cade210b002.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-c03654379e8c8b0065718cade210b002.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1a\u7528\u4e8e\u9884\u6d4b\u591a\u6784\u8c61\u86cb\u767d\u8d28\u8fc7\u6e21\u9014\u5f84\u7684<mark data-type=\"tech_methods\" data-id=\"72b0bcc0-d8f9-4edd-919f-fa7c2560388c\">\u795e\u7ecf\u7f51\u7edc<\/mark>\u67b6\u6784\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n<p>\u5728 PATHpre \u65b9\u6cd5\u4e2d\uff0c\u901a\u8fc7\u5377\u79ef<mark data-type=\"tech_methods\" data-id=\"72b0bcc0-d8f9-4edd-919f-fa7c2560388c\">\u795e\u7ecf\u7f51\u7edc<\/mark>\u9884\u6d4b\u5e94\u7528\u4e24\u79cd\u6784\u8c61\u72b6\u6001\u7cfb\u7edf\u4e2d\u7684\u8ddd\u79bb\u77e9\u9635\uff0c\u4ee5\u83b7\u5f97\u8fd9\u4e9b\u6784\u8c61\u72b6\u6001\u4e4b\u95f4\u7684\u9ad8\u80fd\u72b6\u6001\u3002\u6838\u5fc3\u6a21\u5757\u540d\u4e3a HESpre\uff0c\u76ee\u7684\u662f\u9884\u6d4b\u9ad8\u80fd\u72b6\u6001\u4e0b\u7684\u7ed3\u6784\u4fe1\u606f\u3002\u7136\u540e\u8fed\u4ee3\u4f7f\u7528\u8be5\u6a21\u5757\u6765\u9884\u6d4b\u6574\u4e2a\u9014\u5f84\u3002<\/p>\n<p>\u7814\u7a76\u5bf9\u5404\u79cd\u86cb\u767d\u8d28\u8fdb\u884c\u4e86<mark data-type=\"concepts\" data-id=\"de51a6aa-a6c6-43b1-880f-79c0b033bbae\">\u4ea4\u53c9\u9a8c\u8bc1<\/mark>\uff0c\u8be5\u6a21\u578b\u5728\u6240\u6709\u6b65\u9aa4\u4e2d\u90fd\u5b9e\u73b0\u4e86\u5f3a\u5927\u7684 Pearson \u76f8\u5173\u6027\u548c\u4f4e\u5e73\u5747\u7edd\u5bf9\u8bef\u5dee\uff1b\u56e0\u6b64\uff0c\u5b83\u5728\u7ed3\u6784\u7c7b\u522b\u4e2d\u975e\u5e38\u901a\u7528\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-bb391852182d0f410295d1eb76bc1c99.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/11\/frc-bb391852182d0f410295d1eb76bc1c99.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1a\u5e94\u7528 PATHpre \u7814\u7a76\u4e24\u79cd\u86cb\u767d\u8d28\u7684\u6784\u8c61\u53d8\u5316\uff1aA) \u817a\u82f7\u9178\u6fc0\u9176\u548c B) 30S \u6838\u7cd6\u4f53\u86cb\u767d S7\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n<p>PATHpre \u901a\u8fc7\u4e0e\u4e00\u7cfb\u5217\u86cb\u767d\u8d28\u4e0a\u5b58\u5728\u7684\u5b9e\u9a8c\u548c\u6a21\u62df\u6570\u636e\u663e\u793a\u51fa\u5f3a\u76f8\u5173\u6027\uff0c\u5728\u86cb\u767d\u8d28\u8f6c\u53d8\u9014\u5f84\u975e\u5e38\u9ad8\u7684\u9884\u6d4b\u4e2d\u5f88\u51c6\u786e\u3002\u8bc4\u4f30\u8fd8\u8868\u660e\uff0cPATHpre \u53ef\u4ee5\u7a33\u5065\u5730\u6355\u83b7\u4ece\u7b80\u5355\u5230\u590d\u6742\u7684\u6784\u8c61\u53d8\u5316\uff0c\u5e76\u4e14\u5b83\u4e0e\u4e0d\u540c\u957f\u5ea6\u7684\u5e8f\u5217\u4ee5\u53ca\u7ed3\u6784\u590d\u6742\u6027\u4fdd\u6301\u4e00\u81f4\u3002<\/p>\n<p>\u91cd\u8981\u7684\u662f\uff0c\u5b83\u901a\u8fc7\u5339\u914d\u5b9e\u9a8c\u81ea\u7531\u80fd\u666f\u89c2\uff0c\u51c6\u786e\u9884\u6d4b\u4e86\u5355\u4e2a\u86cb\u767d\u8d28\uff08\u5982\u817a\u82f7\u9178\u6fc0\u9176\u548c 30S \u6838\u7cd6\u4f53\u86cb\u767d S7\uff09\u7684\u8f6c\u53d8\u9014\u5f84\uff0c\u5e76\u4e14\u5728\u5177\u6709\u6311\u6218\u6027\u7684\u6761\u4ef6\u4e0b\uff0c\u6bd4\u4f20\u7edf\u7684\u6df7\u5408\u65b9\u6cd5\u8868\u73b0\u66f4\u597d\u3002PATHpre \u7684\u9884\u6d4b\u4e0e\u5df2\u77e5\u7ed3\u6784\u4e00\u81f4\uff0c\u5176\u5bf9\u6298\u53e0\u8f6c\u53d8\u86cb\u767d\u8d28\u4e2d\u7cbe\u7ec6\u4e2d\u95f4\u72b6\u6001\u7684<mark data-type=\"concepts\" data-id=\"8ec6a68f-ad96-4b85-ab72-6f8931886922\">\u6620\u5c04<\/mark>\u8bc1\u5b9e\u4e86\u5176\u5e7f\u6cdb\u7684\u9002\u7528\u6027\u548c\u53ef\u9760\u6027\uff0c\u53ef\u4ee5\u6355\u83b7\u5e7f\u6cdb\u7684\u86cb\u767d\u8d28\u6784\u8c61\u8f6c\u53d8\u3002<\/p>\n<h1><span class=\"ez-toc-section\" id=\"%E8%9B%8B%E7%99%BD%E8%B4%A8%E6%9E%84%E8%B1%A1%E5%8F%98%E5%8C%96%E6%96%B0%E8%A7%81%E8%A7%A3\"><\/span><strong>\u86cb\u767d\u8d28\u6784\u8c61\u53d8\u5316\u65b0\u89c1\u89e3<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h1>\n<p>\u4e0e\u5176\u5b83\u51e0\u79cd\u540c\u7c7b\u86cb\u767d\u8d28\u6784\u8c61\u53d8\u5316<mark data-type=\"tech_methods\" data-id=\"01946acc-d031-4c0e-909c-f062643b7273\">\u6df1\u5ea6\u5b66\u4e60<\/mark>\u6a21\u578b\u76f8\u6bd4\u3002PATHpre \u6a21\u578b\u5177\u6709\u4ee5\u4e0b\u7279\u70b9\uff1a<\/p>\n<p>\u9996\u5148\uff0cPATHpre \u4f7f\u7528\u6765\u81ea\u6a21\u62df\u7684\u8f6c\u53d8\u6570\u636e\u8fdb\u884c\u8bad\u7ec3\uff0c\u6d88\u9664\u4e86\u8f6c\u53d8\u8def\u5f84\u5728\u6f5c\u5728\u7a7a\u95f4\u4e2d\u5448\u7ebf\u6027\u7684\u5047\u8bbe\u3002<\/p>\n<p>\u5176\u6b21\uff0c\u6a21\u578b\u662f\u9002\u7528\u4e8e\u6240\u6709\u86cb\u767d\u8d28\u7684\u901a\u7528\u6a21\u578b\uff0c\u65e0\u9700\u9488\u5bf9\u6bcf\u79cd\u86cb\u767d\u8d28\u8fdb\u884c\u81ea\u5b9a\u4e49\u518d\u8bad\u7ec3\u3002<\/p>\n<p>\u7b2c\u4e09\uff0c\u6a21\u578b\u4e13\u6ce8\u4e8e\u7ed3\u6784\u660e\u786e\u7684\u86cb\u767d\u8d28\u7684\u5927\u6784\u8c61\u53d8\u5316\uff08RMSD &gt; 5\u00c5\uff09\uff0c\u800c\u4e0d\u662f\u5185\u5728\u65e0\u5e8f\u7684\u86cb\u767d\u8d28\u6216\u5c40\u90e8\u53d8\u5316\u76f8\u5bf9\u8f83\u5c0f\u7684\u86cb\u767d\u8d28\uff0c\u8fd9\u5728\u836f\u7269\u8bbe\u8ba1\u4e2d\u5f88\u91cd\u8981\u3002<\/p>\n<p>\u8be5\u7814\u7a76\u6807\u5fd7\u7740 AI \u9a71\u52a8\u7684\u86cb\u767d\u8d28\u5efa\u6a21\u53d6\u5f97\u4e86\u91cd\u5927\u8fdb\u5c55\uff0c\u4e3a\u9884\u6d4b\u86cb\u767d\u8d28\u6784\u8c61\u53d8\u5316\u63d0\u4f9b\u4e86\u4e00\u79cd\u6570\u636e\u9ad8\u6548\u4e14\u53ef\u6269\u5c55\u7684\u65b9\u6cd5\u3002\u8be5\u6a21\u578b\u5c06\u8fdb\u4e00\u6b65\u63d0\u9ad8\u79d1\u5b66\u5bb6\u5bf9\u86cb\u767d\u8d28\u6784\u8c61\u53d8\u5316\u7684\u7406\u89e3\u3002<\/p>\n<p><mark data-type=\"concepts\" data-id=\"700f9c0f-1e8b-4fde-8bae-6de39c13f022\">\u6570\u636e\u5e93<\/mark>\u548c\u6e90\u4ee3\u7801\u5730\u5740\uff1a<em>https:\/\/github.com\/qwang897\/PATHpre<\/em><\/p>\n<p>\u53c2\u8003\u5185\u5bb9\uff1a<em>https:\/\/www.marktechpost.com\/2024\/11\/03\/a-study-on-protein-conformational-changes-using-a-large-scale-biophysical-sampling-augmented-deep-learning-strategy\/<\/em><\/p>\n<p>\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:<a href=\"https:\/\/www.jiqizhixin.com\/articles\/2024-11-25-9\" 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