{"id":36379,"date":"2025-01-10T09:00:13","date_gmt":"2025-01-10T01:00:13","guid":{"rendered":"https:\/\/17aitech.com\/?p=36379"},"modified":"2025-01-10T09:00:13","modified_gmt":"2025-01-10T01:00:13","slug":"%e4%b8%8d%e6%87%82ai%e3%80%81%e4%b8%8d%e4%bc%9a%e7%bc%96%e7%a0%81%ef%bc%9f%e5%a6%82%e4%bd%95%e8%bd%bb%e6%9d%be%e6%8b%bf%e6%8d%8falphafold%e5%87%86%e7%a1%ae%e9%a2%84%e6%b5%8b%e8%9b%8b%e7%99%bd%e7%bb%93","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=36379","title":{"rendered":"\u4e0d\u61c2AI\u3001\u4e0d\u4f1a\u7f16\u7801\uff1f\u5982\u4f55\u8f7b\u677e\u62ff\u634fAlphaFold\u51c6\u786e\u9884\u6d4b\u86cb\u767d\u7ed3\u6784"},"content":{"rendered":"<p>\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:<a href=\"https:\/\/www.jiqizhixin.com\/articles\/2024-10-27-9\" target=\"_blank\">\u4e0d\u61c2AI\u3001\u4e0d\u4f1a\u7f16\u7801\uff1f\u5982\u4f55\u8f7b\u677e\u62ff\u634fAlphaFold\u51c6\u786e\u9884\u6d4b\u86cb\u767d\u7ed3\u6784<\/a><\/p>\n<section><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-07b9d8e0a9f7884b6053c49dbdd5e211.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-07b9d8e0a9f7884b6053c49dbdd5e211.png\"><\/a><\/section>\n<p>\u7f16\u8f91 | \u841d\u535c\u76ae<\/p>\n<p>\u81ea 2021 \u5e74\u516c\u5f00\u53d1\u5e03\u4ee5\u6765\uff0c\u7528 AlphaFold2 (AF2) \u9884\u6d4b\u86cb\u767d\u8d28\u7ed3\u6784\u7814\u7a76\u751f\u7269\u5b66\u95ee\u9898\uff0c\u5df2\u7ecf\u6210\u4e3a\u4e00\u79cd\u5e38\u89c1\u505a\u6cd5\u3002<\/p>\n<p>ColabFold-AF2 \u662f Google Colaboratory \u5185\u90e8\u7684\u5f00\u6e90\u00a0Jupyter Notebook\uff0c\u4e5f\u662f\u4e00\u4e2a\u547d\u4ee4\u884c\u5de5\u5177\uff0c\u53ef\u8ba9\u4f60\u8f7b\u677e\u4f7f\u7528 AF2\uff0c\u540c\u65f6\u5c55\u793a\u4e86\u5176\u9ad8\u7ea7\u9009\u9879\u3002<\/p>\n<p>ColabFold-AF2 \u4f18\u5316\u4e86 AF2 \u6a21\u578b\u7684\u4f7f\u7528\uff0c\u7f29\u77ed\u4e86\u5b9e\u9a8c\u7684\u5468\u8f6c\u65f6\u95f4\u3002<\/p>\n<p>\u5728\u8fd9\u91cc\uff0c\u97e9\u56fd\u9996\u5c14\u56fd\u7acb\u5927\u5b66\u7684\u7814\u7a76\u56e2\u961f\u53d1\u5e03\u4e86\u4e00\u9879 protocol\uff0c\u53ef\u4ee5\u5e2e\u52a9\u7814\u7a76\u4eba\u5458\u66f4\u65b9\u4fbf\u7b80\u6d01\u7684\u4f7f\u7528 AF2\uff0c\u540c\u65f6\u4ecb\u7ecd\u4e86\u4e00\u4e9b\u64cd\u4f5c\u6280\u5de7\u3002<\/p>\n<p>\u5728\u6b64protocol\u4e2d\uff0c\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u4ee5\u4e0b\u4e09\u79cd\u573a\u666f\u5f15\u5bfc\u8bfb\u8005\u4e86\u89e3 ColabFold \u7684\u6700\u4f73\u5b9e\u8df5\uff1a\uff08i\uff09\u5355\u4f53\u9884\u6d4b\uff0c\uff08ii\uff09\u590d\u5408\u7269\u9884\u6d4b\u548c\uff08iii\uff09\u6784\u8c61\u91c7\u6837\u3002<\/p>\n<p>\u524d\u4e24\u79cd\u60c5\u51b5\u6db5\u76d6\u4e86\u7ecf\u5178\u7684\u9759\u6001\u7ed3\u6784\u9884\u6d4b\uff0c\u5e76\u5728\u4eba\u7c7b\u7cd6\u57fa\u78f7\u8102\u9170\u808c\u9187\u8f6c\u9170\u80fa\u9176\u86cb\u767d\u4e0a\u8fdb\u884c\u4e86\u6f14\u793a\u3002\u7b2c\u4e09\u79cd\u573a\u666f\u901a\u8fc7\u9884\u6d4b\u4eba\u7c7b\u4e19\u6c28\u9178\u4e1d\u6c28\u9178\u8f6c\u8fd0\u86cb\u767d 2 \u7684\u4e24\u79cd\u6784\u8c61\u5c55\u793a\u4e86 AF2 \u6a21\u578b\u7684\u53e6\u4e00\u79cd\u7528\u4f8b\u3002<\/p>\n<p>\u7528\u6237\u53ef\u4ee5\u901a\u8fc7 Google Colaboratory \u8fd0\u884c\u8be5 protocol\uff0c\u800c\u65e0\u9700\u8ba1\u7b97\u4e13\u4e1a\u77e5\u8bc6\uff0c\u9ad8\u7ea7\u7528\u6237\u4e5f\u53ef\u4ee5\u5728\u547d\u4ee4\u884c\u73af\u5883\u4e2d\u8fd0\u884c\u8be5 protocol\u3002<\/p>\n<p>\u8be5\u7814\u7a76\u4ee5\u300c<em>Easy and accurate protein structure prediction using ColabFold<\/em>\u300d\u4e3a\u9898\uff0c\u4e8e 2024 \u5e74 10 \u6708 14 \u65e5\u53d1\u5e03\u5728\u300a<em>Nature Protocols<\/em>\u300b\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-cc719d11f3dac504fb3c74d4cd83b30e.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-cc719d11f3dac504fb3c74d4cd83b30e.png\"><\/a><\/p>\n<p><strong>\u5173\u4e8e<\/strong> <strong>AlphaFold<\/strong><\/p>\n<p>\u4ec5\u4ece\u86cb\u767d\u8d28\u5e8f\u5217\u9884\u6d4b\u5176\u4e09\u7ef4\u7ed3\u6784\u957f\u671f\u4ee5\u6765\u4e00\u76f4\u662f\u7ed3\u6784\u751f\u7269\u5b66\u9886\u57df\u7684\u4e00\u9879\u8270\u5de8\u4efb\u52a1\u3002\u673a\u5668\u5b66\u4e60\u6a21\u578b\u7684\u8fdb\u6b65\u5728\u5b9e\u73b0\u8fd9\u4e00\u76ee\u6807\u65b9\u9762\u53d6\u5f97\u4e86\u91cd\u5927\u8fdb\u5c55\u3002<\/p>\n<p>AlphaFold2 (AF2) \u548c\u00a0RoseTTAFold\u00a0\u4ee3\u8868\u4e86\u8fd9\u4e9b\u7a81\u7834\u6027\u7684\u6a21\u578b\u3002\u5b83\u4eec\u9996\u6b21\u63d0\u4f9b\u4e86\u8ba1\u7b97\u65b9\u6cd5\uff0c\u80fd\u591f\u5728\u63d0\u4f9b\u8db3\u591f\u7684\u5e8f\u5217\u4fe1\u606f\u7684\u60c5\u51b5\u4e0b\u751f\u6210\u4e0e\u5b9e\u9a8c\u89e3\u51b3\u7684\u7ed3\u6784\u51e0\u4e4e\u65e0\u6cd5\u533a\u5206\u7684\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u3002\u5177\u4f53\u6765\u8bf4\uff0cAF2 \u662f\u4e00\u4e2a\u7aef\u5230\u7aef\u795e\u7ecf\u7f51\u7edc\uff0c\u7531\u4e24\u4e2a\u4e3b\u8981\u6a21\u5757\u7ec4\u6210\u3002<\/p>\n<p>\u7b2c\u4e00\u4e2a\u6a21\u5757\u5904\u7406\u6709\u5173\u8f93\u5165\u6c28\u57fa\u9178 (AA) \u5e8f\u5217 (\u67e5\u8be2) \u7684\u4fe1\u606f\uff0c\u5e76\u6839\u636e\u591a\u5e8f\u5217\u6bd4\u5bf9 (MSA) \u751f\u6210\u5173\u4e8e\u54ea\u4e9b AA \u76f8\u4e92\u63a5\u89e6\u7684\u5047\u8bbe\u3002\u7b2c\u4e8c\u4e2a\u6a21\u5757\u6c47\u603b\u8fd9\u4e9b\u5047\u8bbe\u4ee5\u9884\u6d4b\u7ed3\u6784\uff08\u5373\u6bcf\u4e2a\u539f\u5b50\u7684 3D \u5750\u6807\uff09\u3002<\/p>\n<p>AF2 \u7f51\u7edc\u80cc\u540e\u7684\u4e24\u4e2a\u5173\u952e\u601d\u60f3\u662f\u4f7f\u7528\u6df1\u5ea6\u5b66\u4e60\u6ce8\u610f\u673a\u5236\uff0c\u8fd9\u4f7f\u7f51\u7edc\u80fd\u591f\u66f4\u597d\u5730\u8bc6\u522b\u63a5\u89e6\u7684 AA\uff0c\u5e76\u901a\u8fc7\u591a\u6b21\u901a\u8fc7\u6a21\u5757\u6765\u7ec6\u5316\u9884\u6d4b\u3002\u7c7b\u4f3c\u7684\u539f\u5219\u6307\u5bfc\u4e86 RoseTTAFold \u7684\u8bbe\u8ba1\uff0c\u4ece\u800c\u4ea7\u751f\u4e86\u4e00\u79cd\u4e0d\u540c\u7684\u7f51\u7edc\u67b6\u6784\uff0c\u5176\u5353\u8d8a\u51c6\u786e\u6027\u53ef\u4e0e AF2 \u76f8\u5ab2\u7f8e\u3002<\/p>\n<p>AF2 \u6700\u521d\u8bbe\u8ba1\u7528\u4e8e\u9884\u6d4b\u5355\u94fe\uff08\u5355\u4e2a\u86cb\u767d\u8d28\u94fe\uff09\u7684\u7ed3\u6784\u3002\u7136\u800c\uff0c\u5176\u6a21\u578b\u5df2\u6210\u529f\u7528\u4e8e\u9884\u6d4b\u591a\u94fe\u6216\u590d\u5408\u7269\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u3002<\/p>\n<p>\u6b64\u5916\uff0cAF2 \u6a21\u578b\u5f97\u5230\u4e86\u8fdb\u4e00\u6b65\u5f00\u53d1\u548c\u8bad\u7ec3\uff0c\u4e13\u95e8\u9488\u5bf9\u591a\u805a\u4f53\u8f93\u5165\uff0c\u4ece\u800c\u4ea7\u751f\u4e86 AlphaFold-multimer\u3002\u4ece\u90a3\u65f6\u8d77\uff0c\u5df2\u7ecf\u5f00\u53d1\u4e86\u8bb8\u591a\u5176\u4ed6\u4f7f\u7528 AF2 \u6216\u5176\u6982\u5ff5\u4f5c\u4e3a\u57fa\u7840\u7684\u6a21\u578b\u3002<\/p>\n<p><strong>\u5173\u4e8e ColabFold<\/strong><\/p>\n<p>ColabFold \u662f\u4e00\u4e2a\u96c6\u6210\u7684\u86cb\u767d\u8d28\u9884\u6d4b\u89e3\u51b3\u65b9\u6848\uff0c\u65e8\u5728\u7b80\u5316\u7528\u6237\u7684\u7ed3\u6784\u5efa\u6a21\u8fc7\u7a0b\u3002\u56e0\u6b64\uff0c\u5b83\u65e2\u63d0\u4f9b\u4e86\u5404\u79cd\u86cb\u767d\u8d28\u9884\u6d4b\u6a21\u578b\u7684\u7b80\u5355\u754c\u9762\uff0c\u4e5f\u63d0\u4f9b\u4e86\u9884\u5904\u7406\u548c\u540e\u5904\u7406\u7a0b\u5e8f\u3002ColabFold \u6709\u4e24\u4e2a\u754c\u9762\uff1a\u57fa\u4e8e Web \u7684\u754c\u9762\uff08\u4f7f\u7528 Google Colaboratory notebooks\uff0c\u4ee5\u4e0b\u7b80\u79f0 Colab\uff09\u548c\u547d\u4ee4\u884c\u5de5\u5177\u3002<\/p>\n<p>\u5176\u57fa\u4e8e Web \u7684\u754c\u9762\u5305\u62ec\u4e94\u4e2a notebooks\uff1aAlphaFold2.ipynb \uff08\u7528\u4e8e\u4f7f\u7528 AF2 \u6216 AF2-multimer\uff09\u3001RoseTTAFold2.ipynb\u3001RoseTTAFold.ipynb\uff08\u4e3b\u8981\u7528\u4e8e\u65e7\u7248\uff09\u3001ESMFold.ipynb \u548c OmegaFold.ipynb\uff08\u5728\u4e0b\u9762\u7684 ColabFold-AF2 \u66ff\u4ee3\u54c1\u4e2d\u7b80\u8981\u4ecb\u7ecd\uff09\u3002\u57fa\u4e8e Web \u7684\u754c\u9762\u9700\u8981\u514d\u8d39\u6ce8\u518c Colab\uff0c\u4e3b\u8981\u7528\u4e8e\u8fdb\u884c\u5355\u4e2a\u6216\u5c0f\u6279\u91cf\u9884\u6d4b\u3002<\/p>\n<p>\u547d\u4ee4\u884c\u754c\u9762\u4ec5\u5305\u542b AF2 \u548c AF2-multimer \u9884\u6d4b\u6a21\u578b\uff0c\u5e76\u5141\u8bb8\u901a\u8fc7\u5904\u7406\u591a\u4e2a\u8f93\u5165\u5e8f\u5217\u8fdb\u884c\u6279\u91cf\u9884\u6d4b\u3002\u7531\u4e8e AF2 \u6a21\u578b\u662f\u76ee\u524d\u53d1\u5e03\u7684\u6700\u51c6\u786e\u7684\u6a21\u578b\u4e4b\u4e00\uff0c\u56e0\u6b64 \u00a0protocol \u4e13\u6ce8\u4e8e AlphaFold2.ipynb \u548c\u547d\u4ee4\u884c\u754c\u9762\uff0c\u5b83\u4eec\u7edf\u79f0\u4e3a\u300cColabFold-AF2\u300d\u3002<\/p>\n<p>\u7531\u4e8e\u5176\u7b80\u5355\u6027\u548c\u529f\u80fd\u6027\uff0cColabFold \u5df2\u88ab\u5e7f\u6cdb\u7528\u4e8e\u4f17\u591a\u7814\u7a76\uff0c\u5176\u516c\u5171 MSA \u670d\u52a1\u5668\u6bcf\u5929\u88ab\u4f7f\u7528\u6570\u4e07\u6b21\u3002\u5b83\u7684\u9002\u7528\u6027\u6db5\u76d6\u4e86\u8bb8\u591a\u751f\u7269\u5b66\u9886\u57df\u3002\u8be5\u8bba\u6587\u5c06\u6307\u5bfc\u8bfb\u8005\u5982\u4f55\u4f7f\u7528 ColabFold-AF2 \u89e3\u51b3\u7c7b\u4f3c\u7684\u751f\u7269\u5b66\u95ee\u9898\u3002<\/p>\n<p><strong>\u65b0\u7684 protocol<\/strong><\/p>\n<p>\u5728 protocol \u4e2d\uff0c\u9996\u5c14\u56fd\u7acb\u5927\u5b66\u7684\u7814\u7a76\u4eba\u5458\u4fee\u6539\u5e76\u6269\u5c55\u4e86 del Alamo \u7b49\u4eba\u63d0\u51fa\u7684 protocol\uff0c\u5e76\u901a\u8fc7\u4f7f\u7528\u4eba\u7c7b\u4e19\u6c28\u9178\u4e1d\u6c28\u9178\u8f6c\u8fd0\u86cb\u767d 2\uff08ASCT2\uff0c\u4e00\u79cd Na+ \u72ec\u7acb\u7684\u4e2d\u6027 AA \u8f6c\u8fd0\u86cb\u767d\uff09\u6765\u5c55\u793a\u8fd9\u79cd\u80fd\u529b\u3002<\/p>\n<p>\u8be5\u8f6c\u8fd0\u86cb\u767d\u662f\u4e00\u79cd\u540c\u578b\u4e09\u805a\u4f53\uff0c\u81f3\u5c11\u6709\u4e24\u79cd\u6784\u8c61\uff0c\u5177\u4f53\u53d6\u51b3\u4e8e\u5b83\u662f\u9762\u5411\u7ec6\u80de\u5916\uff08\u5411\u5916\uff09\u8fd8\u662f\u7ec6\u80de\u5185\uff08\u5411\u5185\uff09\u3002<\/p>\n<p>\u901a\u8fc7\u8c03\u6574 ColabFold-AF2\uff0c\u8be5\u56e2\u961f\u5c55\u793a\u4e86\u9884\u6d4b\u8fd9\u4e9b\u4e0d\u540c\u7ed3\u6784\u72b6\u6001\u7684\u80fd\u529b\u3002<\/p>\n<p>\u8bba\u6587\u6982\u8ff0\u4e86\u4f7f\u7528 ColabFold-AF2 \u8fdb\u884c\u5355\u4f53\uff08\u7a0b\u5e8f 1\u30012\uff09\u548c\u590d\u5408\u7269\uff08\u7a0b\u5e8f 3\u30014\uff09\u9884\u6d4b\u4ee5\u53ca\u6784\u8c61\u91c7\u6837\uff08\u7a0b\u5e8f 5\u30016\uff09\u7684\u4e34\u65f6\u65b9\u6cd5\u7684\u7efc\u5408\u65b9\u6848\u3002<\/p>\n<p>\u7a0b\u5e8f 1\u30013\u30015 \u662f\u4f7f\u7528 Colab \u7684\u57fa\u4e8e Web \u7684\u65b9\u6cd5\uff0c\u7a0b\u5e8f 2\u30014 \u30016 \u662f\u4f7f\u7528\u547d\u4ee4\u884c\u754c\u9762\u7684\u672c\u5730\u65b9\u6cd5\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-39e7cce3d417395f253a21395e833678.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-39e7cce3d417395f253a21395e833678.png\"><\/a><\/p>\n<p>ColabFold-AF2 \u5141\u8bb8\u901a\u8fc7\u5355\u51fb\u8fdb\u884c\u86cb\u767d\u8d28\u9884\u6d4b\uff0c\u79f0\u4e3a\u300c\u5feb\u901f\u542f\u52a8\u300d\u3002\u8981\u5feb\u901f\u542f\u52a8\uff0c\u8bf7\u6253\u5f00 Web \u6d4f\u89c8\u5668\u5e76\u5bfc\u822a\u5230 https:\/\/alphafold.colabfold.com\u3002\u63a5\u4e0b\u6765\uff0c\u5c06\u76ee\u6807\u86cb\u767d\u8d28\u7684 AA \u5e8f\u5217\u7c98\u8d34\u5230 query_sequence \u5b57\u6bb5\u4e2d\uff0c\u7136\u540e\u5355\u51fb\u83dc\u5355\u680f\u4e2d\u7684 Runtime \u2192 Run all\uff08\u4e0b\u56fe\uff09\u3002<\/p>\n<p><a href=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-0536fdcc29397dbf7ce990271a0f4fb2.png\" data-fancybox=\"images\" data-fancybox=\"gallery\"><img decoding=\"async\" src=\"https:\/\/17aitech.com\/wp-content\/uploads\/2024\/10\/frc-0536fdcc29397dbf7ce990271a0f4fb2.png\"><\/a><\/p>\n<section>\u56fe\u793a\uff1a\u5feb\u901f\u542f\u52a8\u3002\u7c98\u8d34\u67e5\u8be2\u5e8f\u5217 (1)\uff0c\u7136\u540e\u5355\u51fb\u8fd0\u884c\u65f6 \u2192 \u5168\u90e8\u8fd0\u884c 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