{"id":2954,"date":"2022-03-16T17:20:28","date_gmt":"2022-03-16T09:20:28","guid":{"rendered":"http:\/\/139.9.1.231\/?p=2954"},"modified":"2022-12-26T19:45:31","modified_gmt":"2022-12-26T11:45:31","slug":"alphafold2","status":"publish","type":"post","link":"http:\/\/139.9.1.231\/index.php\/2022\/03\/16\/alphafold2\/","title":{"rendered":"AlphaFold2\u8bba\u6587"},"content":{"rendered":"\n
\"\"<\/figure>\n\n\n\n

https:\/\/www.nature.com\/articles\/s41586-021-03819-2<\/p>https:\/\/github.com\/deepmind\/alphafold<\/cite><\/blockquote><\/figure>\n\n\n\n

\u6c90\u795eAlphaFold\u8bb2\u89e3<\/strong><\/a><\/p>\n\n\n\n

\u8bba\u6587\u8865\u5145\u6750\u6599\uff1ahttps:\/\/www.biorxiv.org\/content\/10.1101\/2021.10.04.463034v1<\/strong><\/p>\n\n\n\n

\u6458\u8981<\/h2>\n\n\n\n

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\u540c\u6e90\u7ed3\u6784<\/strong>\uff0c\u90a3\u4e9b\u4e0d\u540c\u7269\u79cd\u56e0\u6765\u81ea\u5171\u540c\u7956\u5148\u800c\u5177\u6709\u7684\u76f8\u4f3c\u6027\u7ed3\u6784<\/strong>\u3002 \u4f8b\u5982\u73b0\u4ee3\u9a6c\u7ecf\u8f83\u957f\u65f6\u95f4\u7684\u4fee\u9970\u6210\u4e3a\u5177\u6709\u4e00\u4e2a\u8dbe\uff0c\u9f39\u9f20\u53ca\u5176\u4ed6\u6d1e\u7a74\u52a8\u7269\u6210\u4e3a\u7624\u72b6\u80a2\u4f53\uff0c\u5927\u8c61\u7684\u80a2\u4f53\u6210\u4e3a\u67f1\u72b6\uff0c\u8fd9\u6837\u529f\u80fd\u5404\u5f02\u7684\u524d\u80a2\u6709\u4e00\u4e2a\u5171\u540c\u6765\u6e90\uff0c\u4ed6\u4eec\u90fd\u6765\u81ea\u539f\u59cb\u9646\u751f\u810a\u690e\u52a8\u7269\u4e94\u8dbe\u578b\u7684\u80a2\u4f53\u3002<\/p><\/blockquote>\n\n\n\n

\u5728\u8fd9\u91cc\uff0c\u6211\u4eec\u63d0\u4f9b\u4e86\u7b2c\u4e00\u79cd\u8ba1\u7b97\u65b9\u6cd5\uff0c\u5373\u4f7f\u5728\u4e0d\u77e5\u9053\u76f8\u4f3c\u7ed3\u6784\u7684\u60c5\u51b5\u4e0b\uff0c\u5b83\u4e5f\u53ef\u4ee5\u4ee5\u539f\u5b50\u7cbe\u5ea6\u5b9a\u671f\u9884\u6d4b\u86cb\u767d\u8d28\u7ed3\u6784\u3002\u6211\u4eec\u5728\u5177\u6709\u6311\u6218\u6027\u7684\u7b2c 14 \u6b21\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u5173\u952e\u8bc4\u4f30 (CASP14) \u4e2d\u9a8c\u8bc1\u4e86\u6211\u4eec\u57fa\u4e8e\u795e\u7ecf\u7f51\u7edc\u6a21\u578b\u7684\u5b8c\u5168\u91cd\u65b0\u8bbe\u8ba1\u7684AlphaFold\uff0c\u5728\u5927\u591a\u6570\u60c5\u51b5\u4e0b\u8868\u73b0\u51fa\u4e0e\u5b9e\u9a8c\u76f8\u5ab2\u7f8e\u7684\u51c6\u786e\u6027\uff0c\u5e76\u4e14\u5927\u5927\u4f18\u4e8e\u5176\u4ed6\u65b9\u6cd5\u3002\u652f\u6301\u6700\u65b0\u7248\u672c\u7684 AlphaFold \u662f\u4e00\u79cd\u65b0\u9896\u7684\u673a\u5668\u5b66\u4e60\u65b9\u6cd5\uff0c\u5b83\u5c06\u5173\u4e8e\u86cb\u767d\u8d28\u7ed3\u6784\u7684\u7269\u7406\u548c\u751f\u7269\u5b66\u77e5\u8bc6\uff0c\u5229\u7528\u591a\u5e8f\u5217\u6bd4\u5bf9\uff0c\u878d\u5165\u6df1\u5ea6\u5b66\u4e60\u7b97\u6cd5\u7684\u8bbe\u8ba1\u4e2d\u3002<\/p>\n\n\n\n

\u5e8f\u5217\u6bd4\u5bf9<\/strong>\u6307\u5c06\u4e24\u4e2a\u6216\u591a\u4e2a\u5e8f\u5217\u6392\u5217\u5728\u4e00\u8d77\uff0c\u6807\u660e\u5176\u76f8\u4f3c\u4e4b\u5904\u3002\u5e8f\u5217\u4e2d\u53ef\u4ee5\u63d2\u5165\u95f4\u9694\uff08\u901a\u5e38\u7528\u77ed\u6a2a\u7ebf\u201c-\u201d\u8868\u793a\uff09\u3002\u5bf9\u5e94\u7684\u76f8\u540c\u6216\u76f8\u4f3c\u7684\u7b26\u53f7\uff08\u5728\u6838\u9178\u4e2d\u662fA, T(\u6216U), C, G\uff0c\u5728\u86cb\u767d\u8d28\u4e2d\u662f\u6c28\u57fa\u9178\u6b8b\u57fa\u7684\u5355\u5b57\u6bcd\u8868\u793a\uff09\u6392\u5217\u5728\u540c\u4e00\u5217\u4e0a\u3002
tcctctgcctctgccatcat—caaccccaaagt
|||| ||| ||||| ||||| ||||||||||||
tcctgtgcatctgcaatcatgggcaaccccaaagt
\u591a\u5e8f\u5217\u6bd4\u5bf9<\/strong>\u662f\u6210\u5bf9\u6bd4\u5bf9\u7684\u5ef6\u4f38\uff0c\u662f\u4e3a\u4e86\u5728\u4e00\u6b21\u6bd4\u5bf9\u91cc\u9762\u5904\u7406\u591a\u4e8e\u4e24\u6761\u7684\u7684\u5e8f\u5217\u3002\u591a\u5e8f\u5217\u6bd4\u5bf9\u65b9\u6cd5\u8bd5\u56fe\u6bd4\u5bf9\u4e00\u4e2a\u6307\u5b9a\u5e8f\u5217\u96c6\u5408\u91cc\u9762\u7684\u6240\u6709\u5e8f\u5217\uff0c\u8fd9\u53ef\u4ee5\u5e2e\u52a9\u786e\u5b9a\u8fd9\u4e9b\u5e8f\u5217\u7684\u5171\u540c\u533a\u6bb5\u3002\u8fdb\u884c\u591a\u5e8f\u5217\u6bd4\u5bf9\u6709\u51e0\u79cd\u65b9\u6cd5\uff0c\u6700\u5e38\u7528\u7684\u4e00\u79cd\u662fClustal\u7a0b\u5e8f\u96c6\uff0c\u5b83\u4f7f\u7528\u6e10\u8fdb\u591a\u5e8f\u5217\u6bd4\u5bf9\u7b97\u6cd5\u3002Clustal\u5728cladistics\u4e2d\u88ab\u7528\u6765\u5efa\u7acb\u8fdb\u5316\u6811\uff0c\u5728PSI-BLAST\u548cHidden Markov model (HMM)\u4e2d\u7528\u6765\u5efa\u7acb\u5e8f\u5217\u6863\u6848\u4ee5\u5728\u5e8f\u5217\u6570\u636e\u5e93\u4e2d\u641c\u7d22\u66f4\u8fdc\u7684\u540c\u6e90\u5e8f\u5217\u3002<\/p><\/blockquote>\n\n\n\n

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\u8fd9\u79cd\u751f\u7269\u4fe1\u606f\u5b66\u65b9\u6cd5\u6781\u5927\u5730\u53d7\u76ca\u4e8e\u86cb\u767d\u8d28\u6570\u636e\u5e93 (PDB) \u4e2d\u5b58\u50a8\u7684\u5b9e\u9a8c\u86cb\u767d\u8d28\u7ed3\u6784\u7684\u7a33\u5b9a\u589e\u957f\u3001\u57fa\u56e0\u7ec4\u6d4b\u5e8f\u7684\u7206\u70b8\u5f0f\u589e\u957f\u4ee5\u53ca\u7528\u4e8e\u89e3\u91ca\u8fd9\u4e9b\u76f8\u5173\u6027\u7684\u6df1\u5ea6\u5b66\u4e60\u6280\u672f\u7684\u5feb\u901f\u53d1\u5c55\u3002 \u5c3d\u7ba1\u53d6\u5f97\u4e86\u8fd9\u4e9b\u8fdb\u5c55\uff0c\u57fa\u4e8e\u7269\u7406\u548c\u8fdb\u5316\u5386\u53f2\u7684\u65b9\u6cd5\u4ea7\u751f\u7684\u9884\u6d4b\u8fdc\u4f4e\u4e8e\u5b9e\u9a8c\u51c6\u786e\u6027\u3002<\/p>\n\n\n\n

\u6211\u4eec\uff08DeepMind\u56e2\u961f\uff09\u5f00\u53d1\u4e86\u7b2c\u4e00\u4e2a\u80fd\u591f\u5728\u5927\u591a\u6570\u60c5\u51b5\u4e0b\u9884\u6d4b\u86cb\u767d\u8d28\u7ed3\u6784\u63a5\u8fd1\u5b9e\u9a8c\u51c6\u786e\u6027\u7684\u8ba1\u7b97\u65b9\u6cd5\u3002 \u6211\u4eec\u5f00\u53d1\u7684\u795e\u7ecf\u7f51\u7edc AlphaFold \u5df2\u8fdb\u5165 CASP14 \u8bc4\u4f30\uff082020 \u5e74 5 \u6708\u81f3 7 \u6708\uff09\u3002 CASP \u8bc4\u4f30\u6bcf\u4e24\u5e74\u8fdb\u884c\u4e00\u6b21\uff0c\u4f7f\u7528\u672a\u5728 PDB \u4e2d\u5b58\u653e\u6216\u516c\u5f00\u62ab\u9732\u7684\u6700\u8fd1\u89e3\u51b3\u7684\u7ed3\u6784\uff0c\u56e0\u6b64\u5b83\u662f\u5bf9\u53c2\u4e0e\u65b9\u6cd5\u7684\u76f2\u6d4b\uff0c\u957f\u671f\u4ee5\u6765\u4e00\u76f4\u4f5c\u4e3a\u7ed3\u6784\u9884\u6d4b\u51c6\u786e\u6027\u7684\u91d1\u6807\u51c6\u8bc4\u4f30\u3002<\/p>\n\n\n\n

\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b (CASP) \u5b9e\u9a8c\u7684\u6279\u5224\u6027\u8bc4\u4f30\u65e8\u5728\u5efa\u7acb\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u7684\u5f53\u524d\u6280\u672f\u6c34\u5e73\uff0c\u786e\u5b9a\u5df2\u53d6\u5f97\u7684\u8fdb\u5c55\uff0c\u5e76\u7a81\u51fa\u672a\u6765\u53ef\u80fd\u6700\u6709\u6210\u6548\u7684\u5de5\u4f5c\u91cd\u70b9\u3002<\/p><\/blockquote>\n\n\n\n

… \u7701\u7565\u4e86\u90e8\u5206\u5185\u5bb9<\/p>\n\n\n\n

\u5728\u56fe 2a \u4e2d\u8bc1\u660e\uff0cCASP14 \u4e2d\u5c55\u793aAlphaFold\u7684\u9ad8\u51c6\u786e\u7387\u6269\u5c55\u5230\u6700\u8fd1\u5927\u91cfPDB\u7ed3\u6784\u6837\u672c\uff0c\u5176\u4e2d\u6240\u6709\u7ed3\u6784\u5728\u6211\u4eec\u7684\u8bad\u7ec3\u6570\u636e\u622a\u6b62\u540e\u90fd\u5b58\u50a8\u5728PDB\u4e2d\uff0c\u5e76\u4f5c\u4e3a\u5b8c\u6574\u94fe\u8fdb\u884c\u5206\u6790\u3002\u6b64\u5916\uff0c\u5f53\u4e3b\u94fe\u9884\u6d4b\u51c6\u786e\u65f6\uff0c\u89c2\u5bdf\u5230\u9ad8\u4fa7\u94fe\u51c6\u786e\u6027\uff08\u56fe 2b\uff09\uff0c\u5e76\u4e14\u8868\u660e\u6211\u4eec\u9884\u6d4b\u7684\u5c40\u90e8\u8ddd\u79bb\u5dee\u5f02\u6d4b\u8bd5\uff08pLDDT\uff09\u7f6e\u4fe1\u5ea6\u53ef\u9760\u5730\u9884\u6d4b\u4e86 Ca \u5c40\u90e8\u8ddd\u79bb\u5dee\u5f02\u6d4b\u8bd5\uff08lDDT-C\u03b1\uff09\u51c6\u786e\u5ea6\u76f8\u5e94\u7684\u9884\u6d4b\uff08\u56fe 2c\uff09\u3002\u6211\u4eec\u8fd8\u53d1\u73b0\u53ef\u4ee5\u51c6\u786e\u4f30\u8ba1\u5168\u5c40\u53e0\u52a0\u5ea6\u91cf\u6a21\u677f\u5efa\u6a21\u5206\u6570 (TM-score)\uff08\u56fe 2d\uff09\u3002\u603b\u4f53\u800c\u8a00\uff0c\u8fd9\u4e9b\u9a8c\u8bc1\u4e86 AlphaFold \u5728 CASP14 \u86cb\u767d\u4e0a\u7684\u9ad8\u7cbe\u5ea6\u548c\u53ef\u9760\u6027\u4e5f\u53ef\u4ee5\u8fc1\u79fb\u5230\u6700\u8fd1 PDB \u63d0\u4ea4\u7684\u672a\u7ecf\u6574\u7406\u7684\u6570\u636e\u96c6\u4e2d\u3002<\/p>\n\n\n\n

\"\"\/<\/figure>\n\n\n\n

Fig. 1 | AlphaFold produces highly accurate structures.<\/strong><\/p>\n\n\n\n

PDB\u86cb\u767d\u8d28\u7ed3\u6784\u6570\u636e\u5e93(Protein Data Bank,\u7b80\u79f0PDB)\u662f\u7f8e\u56fdBrookhaven\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\u4e8e1971\u5e74\u521b\u5efa\u7684\uff0c\u7531\u7ed3\u6784\u751f\u7269\u4fe1\u606f\u5b66\u7814\u7a76\u5408\u4f5c\u7ec4\u7ec7(Research Collaboratory for Structural Bioinformatics,\u7b80\u79f0RCSB)\u7ef4\u62a4\u3002\u548c\u6838\u9178\u5e8f\u5217\u6570\u636e\u5e93\u4e00\u6837\uff0c\u53ef\u4ee5\u901a\u8fc7\u7f51\u7edc\u76f4\u63a5\u5411PDB\u6570\u636e\u5e93\u63d0\u4ea4\u6570\u636e\u3002<\/p><\/blockquote>\n\n\n\n

AlphaFold\u7f51\u7edc<\/strong><\/p>\n\n\n\n

AlphaFold \u901a\u8fc7\u7ed3\u5408\u57fa\u4e8e\u86cb\u767d\u8d28\u7ed3\u6784\u7684\u8fdb\u5316\u3001\u7269\u7406\u548c\u51e0\u4f55\u7ea6\u675f\u7684\u65b0\u578b\u795e\u7ecf\u7f51\u7edc\u67b6\u6784\u548c\u8bad\u7ec3\u7a0b\u5e8f\uff0c\u5927\u5927\u63d0\u9ad8\u4e86\u7ed3\u6784\u9884\u6d4b\u7684\u51c6\u786e\u6027\u3002\u7279\u522b\u662f\uff0c\u6211\u4eec\u5c55\u793a\u4e86\u4e00\u79cd\u8054\u5408\u5d4c\u5165\u591a\u5e8f\u5217\u6bd4\u5bf9 (MSA) \u548c\u6210\u5bf9\u7279\u5f81\u7684\u65b0\u67b6\u6784\u3001\u4e00\u79cd\u65b0\u7684\u8f93\u51fa\u8868\u793a\u548c\u76f8\u5173\u635f\u5931\u51fd\u6570\uff0c\u53ef\u5b9e\u73b0\u51c6\u786e\u7684\u7aef\u5230\u7aef\u7ed3\u6784\u9884\u6d4b\u3001\u65b0\u7684\u7b49\u53d8\u6ce8\u610f\u67b6\u6784\u3001\u4f7f\u7528\u4e2d\u95f4\u635f\u5931\u51fd\u6570\u6765\u5b9e\u73b0\u9884\u6d4b\u7684\u8fed\u4ee3\u6539\u8fdb\uff0c\u5c4f\u853d MSA \u635f\u5931\u4e0e\u7ed3\u6784\u8054\u5408\u8bad\u7ec3\uff0c\u4f7f\u7528\u81ea\u84b8\u998f\u4ece\u672a\u6807\u8bb0\u7684\u86cb\u767d\u8d28\u5e8f\u5217\u4e2d\u5b66\u4e60\uff0c\u4ee5\u53ca\u81ea\u6211\u4f30\u8ba1\u51c6\u786e\u7387\u3002<\/p>\n\n\n\n

\u84b8\u998f\uff0c\u5c31\u662f\u77e5\u8bc6\u84b8\u998f\uff0c\u5c06\u6559\u5e08\u7f51\u7edc(teacher network)\u7684\u77e5\u8bc6\u8fc1\u79fb\u5230\u5b66\u751f\u7f51\u7edc(student network)\u4e0a\uff0c\u4f7f\u5f97\u5b66\u751f\u7f51\u7edc\u7684\u6027\u80fd\u8868\u73b0\u5982\u6559\u5e08\u7f51\u7edc\u4e00\u822c\uff1b\u6216\u8005\u5927\u578b\u6a21\u578b\u8fc1\u79fb\u5230\u5c0f\u578b\u6a21\u578b\u4e2d\uff0c\u5c0f\u578b\u6a21\u578b\u7684\u53c2\u6570\u89c4\u6a21\u5c0f\uff0c\u8fd0\u884c\u901f\u5ea6\u5feb\uff0c\u4f46\u6027\u80fd\u4e0e\u5927\u578b\u6a21\u578b\u53c2\u4e0d\u591a\u3002<\/p><\/blockquote>\n\n\n\n

AlphaFold \u7f51\u7edc\u4f7f\u7528\u4e00\u7ea7\u6c28\u57fa\u9178\u5e8f\u5217\u548c\u540c\u6e90\u7269\u7684\u6bd4\u5bf9\u5e8f\u5217\u4f5c\u4e3a\u8f93\u5165\uff0c\u76f4\u63a5\u9884\u6d4b\u7ed9\u5b9a\u86cb\u767d\u8d28\u7684\u6240\u6709\u91cd\u539f\u5b50\u7684 3-D \u5750\u6807\uff08\u56fe 1e\uff0c\u8bf7\u53c2\u9605\u65b9\u6cd5\u4e86\u89e3\u8f93\u5165\u7684\u8be6\u7ec6\u4fe1\u606f\uff0c\u5305\u62ec\u6570\u636e\u5e93\u3001MSA \u6784\u5efa\u548c\u4f7f\u7528\u7684\u6a21\u677f\uff09\u3002 \u6700\u91cd\u8981\u7684\u65b9\u6cd5\u548c\u7ec4\u4ef6\u7684\u63cf\u8ff0\u5982\u4e0b\u5728\u9644\u4ef6\u4e2d\u63d0\u4f9b\u4e86\u5b8c\u6574\u7684\u7f51\u7edc\u67b6\u6784\u548c\u8bad\u7ec3\u8fc7\u7a0b\u5728\u9644\u4ef6\u7684\u65b9\u6cd5\u7ae0\u8282\u4e2d\u3002<\/p>\n\n\n\n

\u8be5\u7f51\u7edc\u5305\u62ec\u4e24\u4e2a\u4e3b\u8981\u9636\u6bb5\u3002 \u9996\u5148\uff0c\u7f51\u7edc\u7684\u4e3b\u5e72\u901a\u8fc7\u6211\u4eec\u79f0\u4e3a Evoformer \u7684\u65b0\u578b\u795e\u7ecf\u7f51\u7edc\u5757\u7684\u91cd\u590d\u5c42\u5904\u7406\u8f93\u5165\uff0c\u4ee5\u751f\u6210 Nseq \u00d7 Nres \u6570\u7ec4\uff08Nseq\uff1a\u5e8f\u5217\u6570\uff0cNres\uff1a\u6b8b\u57fa\u6570\uff09\uff0c\u8868\u793a\u5df2\u5904\u7406\u7684 MSA \u548c Nres \u00d7 Nres \u6570\u7ec4\uff0c\u8868\u793a\u6b8b\u57fa\u5bf9\u3002 MSA \u8868\u793a\u662f\u7528\u539f\u59cb MSA \u521d\u59cb\u5316\u7684\uff0c\u4f46\u8bf7\u53c2\u9605 \u9644\u4ef6-\u65b9\u6cd5 1.2.7 \u4e86\u89e3\u5904\u7406\u975e\u5e38\u6df1\u7684 MSA \u7684\u8be6\u7ec6\u4fe1\u606f\u3002 Evoformer \u5757\u5305\u542b\u8bb8\u591a\u65b0\u9896\u7684\u57fa\u4e8e\u6ce8\u610f\u529b\u548c\u975e\u57fa\u4e8e\u6ce8\u610f\u529b\u7684\u7ec4\u4ef6\u3002 \u6211\u4eec\u5728\u201c\u53ef\u89e3\u91ca\u6027\u201d\u90e8\u5206\u5c55\u793a\u4e86\u8bc1\u636e\uff0c\u8868\u660e\u5728 Evoformer \u5757\u4e2d\u65e9\u671f\u51fa\u73b0\u4e86\u5177\u4f53\u7684\u7ed3\u6784\u5047\u8bbe\u5e76\u4e0d\u65ad\u5b8c\u5584\u3002 Evoformer \u6a21\u5757\u7684\u5173\u952e\u521b\u65b0\u662f\u5728 MSA \u5185\u4ea4\u6362\u4fe1\u606f\u7684\u65b0\u673a\u5236\u548c\u5141\u8bb8\u76f4\u63a5\u63a8\u7406\u7a7a\u95f4\u548c\u8fdb\u5316\u5173\u7cfb\u7684\u914d\u5bf9\u8868\u793a\u3002<\/p>\n\n\n\n

\u7f51\u7edc\u7684\u4e3b\u5e72\u4e4b\u540e\u662f\u7ed3\u6784\u6a21\u5757\uff0c\u8be5\u6a21\u5757\u4ee5\u86cb\u767d\u8d28\u7684\u6bcf\u4e2a\u6b8b\u57fa\uff08\u5168\u5c40\u521a\u4f53\u6846\u67b6\uff09\u7684\u65cb\u8f6c\u548c\u5e73\u79fb\u7684\u5f62\u5f0f\u5f15\u5165\u4e86\u660e\u786e\u7684 3-D \u7ed3\u6784\u3002\u8fd9\u4e9b\u8868\u793a\u5728\u7b80\u5355\u7684\u72b6\u6001\u4e0b\u521d\u59cb\u5316\uff0c\u6240\u6709\u65cb\u8f6c\u8bbe\u7f6e\u4e3a\u4e00\u81f4\uff0c\u6240\u6709\u4f4d\u7f6e\u8bbe\u7f6e\u4e3a\u539f\u70b9\uff0c\u4f46\u5feb\u901f\u53d1\u5c55\u548c\u5b8c\u5584\uff0c\u5177\u6709\u7cbe\u786e\u539f\u5b50\u7ec6\u8282\u7684\u9ad8\u5ea6\u51c6\u786e\u7684\u86cb\u767d\u8d28\u7ed3\u6784\u3002\u7f51\u7edc\u8fd9\u4e00\u90e8\u5206\u7684\u5173\u952e\u521b\u65b0\u5305\u62ec\u6253\u7834\u94fe\u539f\u5b50\u7ed3\u6784\u4ee5\u5141\u8bb8\u540c\u65f6\u5bf9\u7ed3\u6784\u7684\u6240\u6709\u90e8\u5206\u8fdb\u884c\u5c40\u90e8\u7ec6\u5316\uff0c\u4e00\u79cd\u65b0\u9896\u7684\u7b49\u53d8\u53d8\u6362\u5668\u5141\u8bb8\u7f51\u7edc\u9690\u5f0f\u63a8\u7406\u672a\u8868\u793a\u7684\u4fa7\u94fe\u539f\u5b50\uff0c\u4ee5\u53ca\u4e00\u4e2a\u635f\u5931\u9879\u4ee3\u66ff\u6b8b\u57fa\u7684\u65b9\u5411\u6b63\u786e\u6027\u7684\u91cd\u8981\u6743\u91cd<\/em><\/strong>\u3002\u5728\u7ed3\u6784\u6a21\u5757\u548c\u6574\u4e2a\u7f51\u7edc\u4e2d\uff0c\u6211\u4eec\u901a\u8fc7\u53cd\u590d\u5c06\u6700\u7ec8\u635f\u5931\u51fd\u6570\u5e94\u7528\u4e8e\u8f93\u51fa\uff0c\u7136\u540e\u5c06\u8f93\u51fa\u9012\u5f52\u5730\u63d0\u4f9b\u7ed9\u76f8\u540c\u7684\u6a21\u5757\u6765\u5f3a\u5316\u8fed\u4ee3\u7ec6\u5316\u7684\u6982\u5ff5\u3002\u4f7f\u7528\u6574\u4e2a\u7f51\u7edc\u7684\u8fed\u4ee3\u7ec6\u5316\uff08\u6211\u4eec\u79f0\u4e4b\u4e3a\u201c\u5faa\u73af\u201d) \u5bf9\u51c6\u786e\u6027\u6709\u663e\u7740\u8d21\u732e\uff0c\u800c\u989d\u5916\u7684\u8bad\u7ec3\u65f6\u95f4\u5f88\u5c11\uff08\u6709\u5173\u8be6\u7ec6\u4fe1\u606f\uff0c\u8bf7\u53c2\u9605\u9644\u4ef6-\u65b9\u6cd5-1.8\uff09\u3002<\/p>\n\n\n\n

Evoformer\u6a21\u5757<\/strong><\/p>\n\n\n\n

\u540d\u4e3a Evoformer\uff08\u56fe 1e \u548c 3a\uff09\u7684\u7f51\u7edc\u6784\u5efa\u5757\u7684\u5173\u952e\u539f\u7406\u662f\u5c06\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u89c6\u4e3a 3-D \u7a7a\u95f4\u4e2d\u7684\u56fe\u63a8\u7406\u95ee\u9898\uff0c\u5176\u4e2d\u56fe\u7684\u8fb9\u7f18\u7531\u90bb\u8fd1\u7684\u6b8b\u57fa\u5b9a\u4e49\u3002 \u914d\u5bf9\u8868\u793a\u7684\u5143\u7d20\u7f16\u7801\u6709\u5173\u6b8b\u57fa\u4e4b\u95f4\u5173\u7cfb\u7684\u4fe1\u606f\uff08\u56fe 3b\uff09\u3002 MSA \u8868\u793a\u7684\u5217\u7f16\u7801\u8f93\u5165\u5e8f\u5217\u7684\u5404\u4e2a\u6b8b\u57fa\uff0c\u800c\u884c\u8868\u793a\u8fd9\u4e9b\u6b8b\u57fa\u51fa\u73b0\u7684\u5e8f\u5217\u3002 \u5728\u8fd9\u4e2a\u6846\u67b6\u5185\uff0c\u6211\u4eec\u5b9a\u4e49\u4e86\u8bb8\u591a\u66f4\u65b0\u64cd\u4f5c\uff0c\u8fd9\u4e9b\u66f4\u65b0\u64cd\u4f5c\u5e94\u7528\u4e8e\u6bcf\u4e2a\u5757\u4e2d\uff0c\u5176\u4e2d\u4e0d\u540c\u7684\u66f4\u65b0\u64cd\u4f5c\u88ab\u4e32\u8054\u5e94\u7528\u3002<\/p>\n\n\n\n

\"\"\/<\/figure>\n\n\n\n

Fig. 3 | Architectural details.<\/strong><\/p>\n\n\n\n

MSA \u8868\u793a\u901a\u8fc7\u5728 MSA \u5e8f\u5217\u7ef4\u5ea6\u4e0a\u6c42\u548c\u7684\u9010\u5143\u7d20\u5916\u79ef\u66f4\u65b0\u914d\u5bf9\u8868\u793a\u3002<\/em><\/strong> \u4e0e\u4e4b\u524d\u7684\u5de5\u4f5c\u4e0d\u540c\uff0c\u6b64\u64cd\u4f5c\u5e94\u7528\u4e8e\u6bcf\u4e2a\u5757\u4e2d\uff0c\u800c\u4e0d\u662f\u5728\u7f51\u7edc\u4e2d\u5e94\u7528\u4e00\u6b21\uff0c\u8fd9\u4f7f\u5f97\u4ece\u4e0d\u65ad\u53d1\u5c55\u7684 MSA \u8868\u793a\u5230\u914d\u5bf9\u8868\u793a\u7684\u8fde\u7eed\u901a\u4fe1\u6210\u4e3a\u53ef\u80fd\u3002<\/p>\n\n\n\n

\u5728\u914d\u5bf9\u8868\u793a\u4e2d\uff0c\u6709\u4e24\u79cd\u4e0d\u540c\u7684\u66f4\u65b0\u6a21\u5f0f\u3002\u4e24\u8005\u90fd\u53d7\u5230\u914d\u5bf9\u8868\u793a\u4e00\u81f4\u6027\u5fc5\u8981\u6027\u7684\u542f\u53d1\u2014\u2014\u4e3a\u4e86\u5c06\u6c28\u57fa\u9178\u7684\u914d\u5bf9\u63cf\u8ff0\u8868\u793a\u4e3a\u5355\u4e2a 3-D \u7ed3\u6784\uff0c\u5fc5\u987b\u6ee1\u8db3\u8bb8\u591a\u7ea6\u675f\uff0c\u5305\u62ec\u8ddd\u79bb\u4e0a\u7684\u4e09\u89d2\u4e0d\u7b49\u5f0f\u3002<\/em><\/strong>\u57fa\u4e8e\u8fd9\u79cd\u76f4\u89c9\uff0c\u6211\u4eec\u6839\u636e\u6d89\u53ca\u4e09\u4e2a\u4e0d\u540c\u8282\u70b9\u7684\u8fb9\u4e09\u89d2\u5f62\u6765\u5b89\u6392\u5bf9\u8868\u793a\u7684\u66f4\u65b0\u64cd\u4f5c\uff08\u56fe 3c\uff09\u3002\u7279\u522b\u662f\uff0c\u6211\u4eec\u5411\u8f74\u5411\u6ce8\u610f\u529b\u6dfb\u52a0\u4e86\u4e00\u4e2a\u989d\u5916\u7684 logit \u504f\u5dee\uff0c\u4ee5\u5305\u62ec\u4e09\u89d2\u5f62\u7684\u201c\u7f3a\u5931\u8fb9\u201d\uff0c\u5e76\u4e14\u6211\u4eec\u5b9a\u4e49\u4e86\u4e00\u4e2a\u975e\u6ce8\u610f\u529b\u66f4\u65b0\u64cd\u4f5c\u201c\u4e09\u89d2\u5f62\u4e58\u6cd5\u66f4\u65b0\u201d\uff0c\u5b83\u4f7f\u7528\u4e24\u6761\u8fb9\u6765\u66f4\u65b0\u7f3a\u5931\u7684\u7b2c\u4e09\u6761\u8fb9\uff08\u53c2\u89c1 \u9644\u4ef6-\u65b9\u6cd5-1.6.5 \u4e86\u89e3\u8be6\u60c5\uff09\u3002\u4e09\u89d2\u5f62\u4e58\u6cd5\u66f4\u65b0\u6700\u521d\u662f\u4f5c\u4e3a\u6ce8\u610f\u529b\u66f4\u5bf9\u79f0\u4e14\u66f4\u4fbf\u5b9c\u7684\u66ff\u4ee3\u54c1\u800c\u5f00\u53d1\u7684\uff0c\u4ec5\u4f7f\u7528\u6ce8\u610f\u529b\u6216\u4e58\u6cd5\u66f4\u65b0\u7684\u7f51\u7edc\u90fd\u80fd\u591f\u4ea7\u751f\u9ad8\u7cbe\u5ea6\u7ed3\u6784\u3002\u7136\u800c\uff0c\u4e24\u4e2a\u66f4\u65b0\u7684\u7ec4\u5408\u66f4\u51c6\u786e\u3002<\/p>\n\n\n\n

\u6211\u4eec\u8fd8\u5728 MSA \u8868\u793a\u4e2d\u4f7f\u7528\u4e86\u4e00\u79cd\u8f74\u5411\u6ce8\u610f\u529b\u7684\u53d8\u4f53\u3002 \u5728 MSA \u4e2d\u7684 per-sequence attention \u671f\u95f4\uff0c\u6211\u4eec\u4ece pair stack \u4e2d\u6295\u5c04\u989d\u5916\u7684 logits \u4ee5\u504f\u7f6e MSA attention\u3002 \u8fd9\u901a\u8fc7\u63d0\u4f9b\u4ece\u914d\u5bf9\u8868\u793a\u8fd4\u56de\u5230 MSA \u8868\u793a\u7684\u4fe1\u606f\u6d41\u6765\u5173\u95ed\u5faa\u73af\uff0c\u786e\u4fdd\u6574\u4e2a Evoformer \u6a21\u5757\u80fd\u591f\u5b8c\u5168\u6df7\u5408\u5bf9\u548c MSA \u8868\u793a\u4e4b\u95f4\u7684\u4fe1\u606f\uff0c\u5e76\u4e3a\u7ed3\u6784\u6a21\u5757\u4e2d\u7684\u7ed3\u6784\u751f\u6210\u505a\u597d\u51c6\u5907\u3002<\/p>\n\n\n\n

\u7aef\u5230\u7aef\u7ed3\u6784\u9884\u6d4b<\/h2>\n\n\n\n

\u7ed3\u6784\u6a21\u5757\uff08\u56fe 3d\uff09\u4f7f\u7528\u5bf9\u8868\u793a\u548c\u6765\u81ea\u4e3b\u5e72\u7684 MSA \u8868\u793a\u7684\u539f\u59cb\u5e8f\u5217\u884c\uff08\u201csingle representation\u201d\uff0c\u201c\u5355\u4e00\u8868\u793a\u201d\uff09\u5728\u5177\u4f53\u7684 3-D \u4e3b\u5e72\u7ed3\u6784\u4e0a\u8fd0\u884c\u3002 3-D \u4e3b\u5e72\u7ed3\u6784\u8868\u793a\u4e3a Nres \u72ec\u7acb\u7684\u65cb\u8f6c\u548c\u5e73\u79fb\uff0c\u6bcf\u4e2a\u65cb\u8f6c\u548c\u5e73\u79fb\u76f8\u5bf9\u4e8e\u5168\u5c40\u6846\u67b6\uff08residue gas\uff0c\u201c\u6b8b\u4f59\u6c14\u201d\uff1f\uff0c\u56fe 3e\uff09\u3002\u8fd9\u4e9b\u65cb\u8f6c\u548c\u5e73\u79fb\uff0c\u4ee3\u8868 N-C\u03b1-C \u539f\u5b50\u7684\u51e0\u4f55\u5f62\u72b6\uff0c\u4f18\u5148\u8003\u8651\u86cb\u767d\u8d28\u9aa8\u67b6\u7684\u65b9\u5411\uff0c<\/em><\/strong>\u4ee5\u4fbf\u6bcf\u4e2a\u6b8b\u57fa\u7684\u4fa7\u94fe\u4f4d\u7f6e\u5728\u8be5\u6846\u67b6\u5185\u53d7\u5230\u9ad8\u5ea6\u9650\u5236\u3002\u76f8\u53cd\uff0c\u80bd\u952e\u51e0\u4f55\u5f62\u72b6\u5b8c\u5168\u4e0d\u53d7\u7ea6\u675f\uff0c\u5e76\u4e14\u5728\u5e94\u7528\u7ed3\u6784\u6a21\u5757\u671f\u95f4\u89c2\u5bdf\u5230\u7f51\u7edc\u7ecf\u5e38\u8fdd\u53cd\u94fe\u7ea6\u675f\uff0c\u56e0\u4e3a\u6253\u7834\u6b64\u7ea6\u675f\u5141\u8bb8\u5bf9\u94fe\u7684\u6240\u6709\u90e8\u5206\u8fdb\u884c\u5c40\u90e8\u7ec6\u5316\uff0c\u800c\u65e0\u9700\u89e3\u51b3\u590d\u6742\u7684\u95ed\u73af\u95ee\u9898\u3002\u5728\u5fae\u8c03\u671f\u95f4\u901a\u8fc7\u8fdd\u89c4\u635f\u5931\u9879\u9f13\u52b1\u6ee1\u8db3\u80bd\u952e\u51e0\u4f55\u5f62\u72b6\u3002\u53ea\u6709\u5728 Amber\u529b\u573a\u4e2d\u7684\u68af\u5ea6\u4e0b\u964d\u7ed3\u6784\u7684\u9884\u6d4b\u540e\u677e\u5f1b\u4e2d\u624d\u80fd\u5b9e\u73b0\u80bd\u952e\u51e0\u4f55\u5f62\u72b6\u7684\u7cbe\u786e\u6267\u884c\u3002\u6839\u636e\u7ecf\u9a8c\uff0c\u8fd9\u79cd\u6700\u7ec8\u677e\u5f1b\u4e0d\u4f1a\u63d0\u9ad8\u6a21\u578b\u7684\u51c6\u786e\u6027\uff0c\u5982\u901a\u8fc7\u5168\u5c40\u8ddd\u79bb\u6d4b\u8bd5 (GDT) \u6216 IDDT-C\u03b134 \u6d4b\u91cf\u7684\uff0c\u4f46\u786e\u5b9e\u6d88\u9664\u4e86\u5206\u6563\u6ce8\u610f\u529b\u7684\u7acb\u4f53\u5316\u5b66\u8fdd\u89c4\u800c\u4e0d\u4f1a\u635f\u5931\u51c6\u786e\u6027\u3002<\/p>\n\n\n\n

AMBER\u529b\u573a\u662f\u5728\u751f\u7269\u5927\u5206\u5b50<\/a>\u7684\u6a21\u62df\u8ba1\u7b97\u9886\u57df\u6709\u7740\u5e7f\u6cdb\u5e94\u7528\u7684\u4e00\u4e2a\u5206\u5b50\u529b\u573a\u3002AMBER\u529b\u573a\u7684\u4f18\u52bf\u5728\u4e8e\u5bf9\u751f\u7269\u5927\u5206\u5b50<\/a>\u7684\u8ba1\u7b97\uff0c\u5176\u5bf9\u5c0f\u5206\u5b50\u4f53\u7cfb\u7684\u8ba1\u7b97\u7ed3\u679c\u5e38\u5e38\u4e0d\u80fd\u4ee4\u4eba\u6ee1\u610f\u3002<\/p><\/blockquote>\n\n\n\n

residue gas\u8868\u793a\u5206\u4e24\u4e2a\u9636\u6bb5\u8fed\u4ee3\u66f4\u65b0\uff08\u56fe 3d\uff09\u3002\u9996\u5148\uff0c\u6211\u4eec\u79f0\u4e3a\u4e0d\u53d8\u70b9\u6ce8\u610f\u529b<\/em><\/strong> ( Point Attention) \u7684\u65b0\u578b\u51e0\u4f55\u611f\u77e5\u6ce8\u610f\u64cd\u4f5c\u7528\u4e8e\u66f4\u65b0 Nres \u795e\u7ecf\u6fc0\u6d3b\u96c6\uff08single representation\uff0c\u201c\u5355\u4e00\u8868\u793a\u201d\uff09\u800c\u4e0d\u6539\u53d8 3-D \u4f4d\u7f6e\uff0c\u7136\u540e\u5bf9residue gas\u4f7f\u7528\u66f4\u65b0\u7684\u6fc0\u6d3b\u3002\u4e0d\u53d8\u70b9\u6ce8\u610f\u529b\u901a\u8fc7\u5728\u6bcf\u4e2a\u6b8b\u57fa\u7684\u5c40\u90e8\u6846\u67b6\u4e2d\u4ea7\u751f\u7684 3-D \u70b9\u6765\u589e\u5f3a\u6bcf\u4e2a\u901a\u5e38\u7684\u6ce8\u610f\u529b\u67e5\u8be2\u3001\u952e\u548c\u503c\uff0c\u8fd9\u6837\u6700\u7ec8\u503c\u5bf9\u5168\u5c40\u65cb\u8f6c\u548c\u5e73\u79fb\u662f\u4e0d\u53d8\u7684\uff08\u53c2\u89c1\u65b9\u6cd5\u201c\u4e0d\u53d8\u70b9\u6ce8\u610f\u529b\uff08IPA\uff09\u201d\u4e86\u89e3\u8be6\u60c5)\u3002 3-D \u67e5\u8be2\u548c\u952e\u4e5f\u5bf9\u6ce8\u610f\u529b\u65bd\u52a0\u4e86\u5f3a\u70c8\u7684\u7a7a\u95f4\/\u5c40\u90e8\u6027\u504f\u5dee\uff0c\u8fd9\u975e\u5e38\u9002\u5408\u86cb\u767d\u8d28\u7ed3\u6784\u7684\u8fed\u4ee3\u7ec6\u5316\u3002\u5728\u6bcf\u4e2a\u6ce8\u610f\u529b\u64cd\u4f5c\u548c\u9010\u5143\u7d20\u8f6c\u6362\u5757\u4e4b\u540e\uff0c\u8be5\u6a21\u5757\u8ba1\u7b97\u6bcf\u4e2a\u4e3b\u5e72\u5e27\u7684\u65cb\u8f6c\u548c\u5e73\u79fb\u7684\u66f4\u65b0\u3002\u8fd9\u4e9b\u66f4\u65b0\u5728\u6bcf\u4e2a\u6b8b\u5dee\u7684\u5c40\u90e8\u6846\u67b6\u5185\u7684\u5e94\u7528\u4f7f\u5f97\u6574\u4f53\u6ce8\u610f\u529b\u548c\u66f4\u65b0\u5757\u6210\u4e3a\u5bf9residue gas\u7684\u7b49\u53d8\u64cd\u4f5c\u3002<\/p>\n\n\n\n

\u4fa7\u94fe chi \u89d2\u7684\u9884\u6d4b\u4ee5\u53ca\u7ed3\u6784\u7684\u6700\u7ec8\u6bcf\u4e2a\u6b8b\u57fa\u7cbe\u5ea6 (pLDDT) \u662f\u5728\u7f51\u7edc\u672b\u7aef\u7684\u6700\u7ec8\u6fc0\u6d3b\u4e0a\u4f7f\u7528\u5c0f\u7684\u6bcf\u4e2a\u6b8b\u57fa\u7f51\u7edc\u8ba1\u7b97\u7684\u3002 TM \u5206\u6570 (pTM) \u7684\u4f30\u8ba1\u503c\u662f\u4ece\u6210\u5bf9\u9519\u8bef\u9884\u6d4b\u4e2d\u83b7\u5f97\u7684\uff0c\u8be5\u9884\u6d4b\u88ab\u8ba1\u7b97\u4e3a\u6700\u7ec8\u5bf9\u8868\u793a\u7684\u7ebf\u6027\u6295\u5f71\u3002\u6700\u540e\u7684\u635f\u5931\uff08\u6211\u4eec\u79f0\u4e4b\u4e3a\u5e27\u5bf9\u9f50\u70b9\u8bef\u5dee\uff08FAPE\uff09\uff08\u56fe 3f\uff09\uff09\u5c06\u9884\u6d4b\u7684\u539f\u5b50\u4f4d\u7f6e\u4e0e\u8bb8\u591a\u4e0d\u540c\u5bf9\u9f50\u4e0b\u7684\u771f\u5b9e\u4f4d\u7f6e\u8fdb\u884c\u6bd4\u8f83\u3002\u5bf9\u4e8e\u6bcf\u4e2a\u5bf9\u9f50\uff0c\u901a\u8fc7\u5c06\u9884\u6d4b\u5e27 (Rk,tk) \u5bf9\u9f50\u5230\u76f8\u5e94\u7684\u771f\u5b9e\u5e27\u6765\u5b9a\u4e49\uff0c\u6211\u4eec\u8ba1\u7b97\u6240\u6709\u9884\u6d4b\u539f\u5b50\u4f4d\u7f6e xi \u4e0e\u771f\u5b9e\u539f\u5b50\u4f4d\u7f6e\u7684\u8ddd\u79bb\u3002\u7531\u6b64\u4ea7\u751f\u7684 Nframes \u00d7 Natoms \u8ddd\u79bb\u53d7\u5230\u9650\u5236\u7684 L1 \u635f\u5931\u7684\u60e9\u7f5a\u3002\u8fd9\u5bf9\u539f\u5b50\u76f8\u5bf9\u4e8e\u6bcf\u4e2a\u6b8b\u57fa\u7684\u5c40\u90e8\u6846\u67b6\u662f\u6b63\u786e\u7684\u4ea7\u751f\u4e86\u5f3a\u70c8\u7684\u504f\u89c1\uff0c\u56e0\u6b64\u5728\u5176\u4fa7\u94fe\u76f8\u4e92\u4f5c\u7528\u65b9\u9762\u662f\u6b63\u786e\u7684\uff0c\u5e76\u4e3a AlphaFold \u63d0\u4f9b\u4e86\u624b\u6027\u7684\u4e3b\u8981\u6765\u6e90\uff08\u589e\u520a-\u65b9\u6cd5 1.9.3 \u548c\u589e\u520a-\u56fe 9)<\/p>\n\n\n\n

\u4f7f\u7528\u6807\u8bb0\u548c\u672a\u6807\u8bb0\u6570\u636e\u8fdb\u884c\u8bad\u7ec3<\/h2>\n\n\n\n

AlphaFold \u67b6\u6784\u80fd\u591f\u4ec5\u4f7f\u7528\u5bf9 PDB \u6570\u636e\u7684\u76d1\u7763\u5b66\u4e60\u6765\u8bad\u7ec3\u5230\u9ad8\u7cbe\u5ea6\uff0c\u4f46\u6211\u4eec\u80fd\u591f\u4f7f\u7528\u7c7b\u4f3c\u4e8enoisy-student\u81ea\u6211\u84b8\u998f\u7684\u65b9\u6cd5\u6765\u63d0\u9ad8\u51c6\u786e\u6027\uff08\u89c1\u56fe 4a\uff09\u3002 \u5728\u8fd9\u4e2a\u8fc7\u7a0b\u4e2d\uff0c\u6211\u4eec\u4f7f\u7528\u4e00\u4e2a\u8bad\u7ec3\u6709\u7d20\u7684\u7f51\u7edc\u6765\u9884\u6d4b\u6765\u81ea Uniclust30\u7684\u7ea6 350,000 \u4e2a\u4e0d\u540c\u5e8f\u5217\u7684\u7ed3\u6784\uff0c\u5e76\u5c06\u9884\u6d4b\u7ed3\u6784\u7684\u65b0\u6570\u636e\u96c6\u8fc7\u6ee4\u4e3a\u9ad8\u7f6e\u4fe1\u5ea6\u5b50\u96c6\u3002 \u7136\u540e\uff0c\u6211\u4eec\u4f7f\u7528 PDB \u548c\u8fd9\u4e2a\u65b0\u7684\u9884\u6d4b\u7ed3\u6784\u6570\u636e\u96c6\u7684\u6df7\u5408\u4f5c\u4e3a\u8bad\u7ec3\u6570\u636e\u4ece\u5934\u5f00\u59cb\u8bad\u7ec3\u76f8\u540c\u7684\u67b6\u6784\uff0c\u5176\u4e2d\u5404\u79cd\u8bad\u7ec3\u6570\u636e\u589e\u5f3a\uff08\u4f8b\u5982\u88c1\u526a\u548c MSA \u5b50\u91c7\u6837\uff09\u4f7f\u7f51\u7edc\u96be\u4ee5\u91cd\u73b0\u5148\u524d\u9884\u6d4b\u7684\u7ed3\u6784\u3002 \u8fd9\u79cd\u81ea\u84b8\u998f\u8fc7\u7a0b\u6709\u6548\u5730\u5229\u7528\u4e86\u672a\u6807\u8bb0\u7684\u5e8f\u5217\u6570\u636e\uff0c\u5e76\u663e\u7740\u63d0\u9ad8\u4e86\u6240\u5f97\u7f51\u7edc\u7684\u51c6\u786e\u6027\u3002<\/p>\n\n\n\n

Self-training\u662f\u6700\u7b80\u5355\u7684\u534a\u76d1\u7763\u65b9\u6cd5\u4e4b\u4e00\uff0c\u5176\u4e3b\u8981\u601d\u60f3\u662f\u627e\u5230\u4e00\u79cd\u65b9\u6cd5\uff0c\u7528\u672a\u6807\u8bb0\u7684\u6570\u636e\u96c6\u6765\u6269\u5145\u5df2\u6807\u8bb0\u7684\u6570\u636e\u96c6\u3002\u7b97\u6cd5\u6d41\u7a0b\u5982\u4e0b\uff1a
\uff081\uff09\u9996\u5148\uff0c\u5229\u7528\u5df2\u6807\u8bb0\u7684\u6570\u636e\u6765\u8bad\u7ec3\u4e00\u4e2a\u597d\u7684\u6a21\u578b\uff0c\u7136\u540e\u4f7f\u7528\u8fd9\u4e2a\u6a21\u578b\u5bf9\u672a\u6807\u8bb0\u7684\u6570\u636e\u8fdb\u884c\u6807\u8bb0\u3002
\uff082\uff09\u7136\u540e\uff0c\u8fdb\u884c\u4f2a\u6807\u7b7e\u7684\u751f\u6210\uff0c\u56e0\u4e3a\u6211\u4eec\u77e5\u9053\uff0c\u5df2\u8bad\u7ec3\u597d\u7684\u6a21\u578b\u5bf9\u672a\u6807\u8bb0\u6570\u636e\u7684\u6240\u6709\u9884\u6d4b\u90fd\u4e0d\u53ef\u80fd\u90fd\u662f\u597d\u7684\uff0c\u56e0\u6b64\u5bf9\u4e8e\u7ecf\u5178\u7684Self-training\uff0c\u901a\u5e38\u662f\u4f7f\u7528\u5206\u6570\u9608\u503c\u8fc7\u6ee4\u90e8\u5206\u9884\u6d4b\uff0c\u4ee5\u9009\u62e9\u51fa\u672a\u6807\u8bb0\u6570\u636e\u7684\u9884\u6d4b\u6807\u7b7e\u7684\u4e00\u4e2a\u5b50\u96c6\u3002
\uff083\uff09\u5176\u6b21\uff0c\u5c06\u751f\u6210\u7684\u4f2a\u6807\u7b7e\u4e0e\u539f\u59cb\u7684\u6807\u8bb0\u6570\u636e\u76f8\u7ed3\u5408\uff0c\u5e76\u5728\u5408\u5e76\u540e\u6570\u636e\u4e0a\u8fdb\u884c\u8054\u5408\u8bad\u7ec3\u3002
\uff084\uff09\u6574\u4e2a\u8fc7\u7a0b\u53ef\u4ee5\u91cd\u590dn\u6b21\uff0c\u76f4\u5230\u8fbe\u5230\u6536\u655b\u3002<\/p><\/blockquote>\n\n\n\n

\u6b64\u5916\uff0c\u6211\u4eec\u968f\u673a\u5c4f\u853d\u6216\u7a81\u53d8 MSA \u4e2d\u7684\u5355\u4e2a\u6b8b\u57fa\uff0c\u5e76\u5177\u6709\u6765\u81ea Transformers (BERT) \u5f0f\u76ee\u6807\u7684\u53cc\u5411\u7f16\u7801\u5668\u8868\u793a\u6765\u9884\u6d4b MSA \u5e8f\u5217\u7684\u5c4f\u853d\u5143\u7d20\u3002 \u8fd9\u4e2a\u76ee\u6807\u9f13\u52b1\u7f51\u7edc\u5b66\u4e60\u89e3\u91ca\u7cfb\u7edf\u53d1\u80b2\u548c\u534f\u53d8\u5173\u7cfb\uff0c\u800c\u65e0\u9700\u5c06\u7279\u5b9a\u7684\u76f8\u5173\u7edf\u8ba1\u91cf\u786c\u7f16\u7801\u5230\u7279\u5f81\u4e2d\u3002 \u4e0e\u6700\u8fd1\u7684\u72ec\u7acb\u5de5\u4f5c\u76f8\u6bd4\uff0cBERT \u76ee\u6807\u662f\u5728\u76f8\u540c\u7684\u8bad\u7ec3\u793a\u4f8b\u4e0a\u4e0e\u6b63\u5e38\u7684 PDB \u7ed3\u6784\u635f\u5931\u8054\u5408\u8bad\u7ec3\u7684\uff0c\u5e76\u4e14\u6ca1\u6709\u8fdb\u884c\u9884\u8bad\u7ec3\u3002<\/p>\n\n\n\n

\u89e3\u91ca\u795e\u7ecf\u7f51\u7edc<\/h2>\n\n\n\n

\u4e3a\u4e86\u4e86\u89e3 AlphaFold \u5982\u4f55\u9884\u6d4b\u86cb\u767d\u8d28\u7ed3\u6784\uff0c\u6211\u4eec\u4e3a\u7f51\u7edc\u4e2d\u7684 48 \u4e2a Evoformer \u5757\u4e2d\u7684\u6bcf\u4e00\u4e2a\u8bad\u7ec3\u4e86\u4e00\u4e2a\u5355\u72ec\u7684\u7ed3\u6784\u6a21\u5757\uff0c\u540c\u65f6\u4fdd\u6301\u4e3b\u7f51\u7edc\u7684\u6240\u6709\u53c2\u6570\u4fdd\u6301\u4e0d\u53d8\uff08\u8865\u5145\u65b9\u6cd5 1.14\uff09\u3002\u5305\u62ec\u6211\u4eec\u7684\u56de\u6536\u9636\u6bb5\uff0c\u8fd9\u63d0\u4f9b\u4e86 192 \u4e2a\u4e2d\u95f4\u7ed3\u6784\u7684\u8f68\u8ff9\uff0c\u6bcf\u4e2a\u5b8c\u6574\u7684 Evoformer \u5757\u4e00\u4e2a\uff0c\u5176\u4e2d\u6bcf\u4e2a\u4e2d\u95f4\u4f53\u4ee3\u8868\u7f51\u7edc\u5bf9\u8be5\u5757\u6700\u53ef\u80fd\u7ed3\u6784\u7684\u4fe1\u5ff5\u3002\u5728\u524d\u51e0\u4e2a\u5757\u4e4b\u540e\u4ea7\u751f\u7684\u8f68\u8ff9\u51fa\u5947\u5730\u5e73\u6ed1\uff0c\u8868\u660e AlphaFold \u5bf9\u7ed3\u6784\u8fdb\u884c\u4e86\u4e0d\u65ad\u7684\u589e\u91cf\u6539\u8fdb\uff0c\u76f4\u5230\u5b83\u4e0d\u80fd\u518d\u6539\u8fdb\u4e3a\u6b62\uff08\u89c1\u56fe 4b \u7684\u51c6\u786e\u5ea6\u8f68\u8ff9\uff09\u3002\u8fd9\u4e9b\u8f68\u8ff9\u4e5f\u8bf4\u660e\u4e86\u7f51\u7edc\u6df1\u5ea6\u7684\u4f5c\u7528\u3002\u5bf9\u4e8e\u975e\u5e38\u5177\u6709\u6311\u6218\u6027\u7684\u86cb\u767d\u8d28\uff0c\u5982 SARS-CoV-2 Orf8 (T1064)\uff0c\u7f51\u7edc\u641c\u7d22\u5e76\u91cd\u65b0\u6392\u5217\u591a\u5c42\u7684\u4e8c\u7ea7\u7ed3\u6784\u5143\u7d20\uff0c\u7136\u540e\u518d\u786e\u5b9a\u4e00\u4e2a\u597d\u7684\u7ed3\u6784\u3002\u5bf9\u4e8e LmrP (T1024) \u7b49\u5176\u4ed6\u86cb\u767d\u8d28\uff0c\u7f51\u7edc\u4f1a\u5728\u524d\u51e0\u5c42\u5185\u627e\u5230\u6700\u7ec8\u7ed3\u6784\u3002\u8bf7\u53c2\u9605\u589e\u520a-\u89c6\u9891 1-4 \u7684 CASP14 \u76ee\u6807 T1024\u3001T1044\u3001T1064 \u548c T1091 \u7684\u7ed3\u6784\u8f68\u8ff9\u663e\u793a\u4e86\u4e00\u7cfb\u5217\u86cb\u767d\u8d28\u5927\u5c0f\u548c\u96be\u5ea6\u7684\u6e05\u6670\u8fed\u4ee3\u6784\u5efa\u8fc7\u7a0b\u3002\u5728\u8865\u5145-\u65b9\u6cd5 1.16 \u548c\u589e\u520a-\u56fe12-13\uff0c\u6211\u4eec\u89e3\u91ca\u4e86 AlphaFold \u5c42\u4ea7\u751f\u7684\u6ce8\u610f\u529b\u56fe\u3002<\/p>\n\n\n\n

\"\"\/<\/figure>\n\n\n\n

Fig. 4 | Interpreting the neural network<\/strong><\/p>\n\n\n\n

\u56fe 4a \u5305\u542b AlphaFold \u7ec4\u4ef6\u7684\u8be6\u7ec6\u6d88\u878d\uff0c\u8868\u660e\u5404\u79cd\u4e0d\u540c\u7684\u673a\u5236\u6709\u52a9\u4e8e AlphaFold \u7684\u51c6\u786e\u6027\u3002 \u8bf7\u53c2\u9605\u589e\u520a-\u65b9\u6cd5 1.13 \u8be6\u7ec6\u63cf\u8ff0\u4e86\u6bcf\u4e2a\u6d88\u878d\u6a21\u578b\u3001\u5b83\u4eec\u7684\u8bad\u7ec3\u7ec6\u8282\u3001\u6d88\u878d\u7ed3\u679c\u7684\u6269\u5c55\u8ba8\u8bba\u4ee5\u53ca MSA \u6df1\u5ea6\u5bf9\u6bcf\u6b21\u6d88\u878d\u7684\u5f71\u54cd\uff08\u8865\u5145-\u56fe 10\uff09\u3002<\/p>\n\n\n\n

MSA \u6df1\u5ea6\u548c\u8de8\u94fe\u63a5\u89e6<\/h2>\n\n\n\n

\u867d\u7136 AlphaFold \u5728\u7edd\u5927\u591a\u6570\u6c89\u79ef\u7684 PDB \u7ed3\u6784\u4e2d\u5177\u6709\u5f88\u9ad8\u7684\u51c6\u786e\u6027\uff0c\u4f46\u6211\u4eec\u6ce8\u610f\u5230\u4ecd\u7136\u5b58\u5728\u5f71\u54cd\u51c6\u786e\u6027\u6216\u9650\u5236\u6a21\u578b\u9002\u7528\u6027\u7684\u56e0\u7d20\u3002\u5f53\u5e73\u5747\u6bd4\u5bf9\u6df1\u5ea6\u5c0f\u4e8e\u7ea6 30 \u4e2a\u5e8f\u5217\u65f6\uff0c\u8be5\u6a21\u578b\u4f7f\u7528\u591a\u4e2a\u5e8f\u5217\u6bd4\u5bf9\uff0c\u51c6\u786e\u5ea6\u5927\u5e45\u4e0b\u964d\uff08\u8be6\u89c1\u56fe 5a\uff09\u3002\u6211\u4eec\u89c2\u5bdf\u5230\u9608\u503c\u6548\u5e94\uff0c\u5176\u4e2d MSA \u6df1\u5ea6\u8d85\u8fc7\u7ea6 100 \u4e2a\u5e8f\u5217\u7684\u6539\u8fdb\u5bfc\u81f4\u5c0f\u589e\u76ca\u3002\u6211\u4eec\u5047\u8bbe\u9700\u8981 MSA \u4fe1\u606f\u5728\u7f51\u7edc\u7684\u65e9\u671f\u9636\u6bb5\u7c97\u7565\u5730\u627e\u5230\u6b63\u786e\u7684\u7ed3\u6784\uff0c\u4f46\u662f\u5c06\u8be5\u9884\u6d4b\u7ec6\u5316\u4e3a\u9ad8\u7cbe\u5ea6\u6a21\u578b\u5e76\u4e0d\u5173\u952e\u53d6\u51b3\u4e8e MSA \u4fe1\u606f\u3002\u6211\u4eec\u89c2\u5bdf\u5230\u7684\u53e6\u4e00\u4e2a\u5b9e\u8d28\u6027\u9650\u5236\u662f\uff0c\u4e0e\u5f02\u578b\u63a5\u89e6\u7684\u6570\u91cf\u76f8\u6bd4\uff0cAlphaFold \u5bf9\u4e8e\u94fe\u5185\u6216\u540c\u578b\u63a5\u89e6\u5f88\u5c11\u7684\u86cb\u767d\u8d28\u8981\u5f31\u5f97\u591a\u3002\u8fd9\u901a\u5e38\u53d1\u751f\u5728\u8f83\u5927\u590d\u5408\u7269\u4e2d\u7684\u6865\u63a5\u7ed3\u6784\u57df\uff0c\u5176\u4e2d\u86cb\u767d\u8d28\u7684\u5f62\u72b6\u51e0\u4e4e\u5b8c\u5168\u7531\u4e0e\u590d\u5408\u7269\u4e2d\u5176\u4ed6\u94fe\u7684\u76f8\u4e92\u4f5c\u7528\u4ea7\u751f\u3002\u76f8\u53cd\uff0cAlphaFold \u901a\u5e38\u80fd\u591f\u4e3a\u540c\u805a\u4f53\u63d0\u4f9b\u9ad8\u7cbe\u5ea6\u9884\u6d4b\uff0c\u5373\u4f7f\u94fe\u57fa\u672c\u4e0a\u4ea4\u7ec7\u5728\u4e00\u8d77\uff08\u4f8b\u5982\u56fe 5b\uff09\u3002\u6211\u4eec\u5e0c\u671b AlphaFold \u7684\u60f3\u6cd5\u5f88\u5bb9\u6613\u9002\u7528\u4e8e\u9884\u6d4b\u672a\u6765\u7cfb\u7edf\u4e2d\u7684\u5b8c\u6574\u5f02\u8d28\u590d\u5408\u7269\uff0c\u5e76\u4e14\u8fd9\u5c06\u6d88\u9664\u5177\u6709\u5927\u91cf\u5f02\u8d28\u63a5\u89e6\u7684\u86cb\u767d\u8d28\u94fe\u7684\u56f0\u96be\u3002<\/p>\n\n\n\n

\"\"\/<\/figure>\n\n\n\n

Fig. 5 | Effect of MSA depth and cross-chain contacts.<\/strong><\/p>\n\n\n\n

\u76f8\u5173\u5de5\u4f5c<\/h2>\n\n\n\n

\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u6709\u4e00\u4e2a\u6f2b\u957f\u800c\u591a\u6837\u7684\u53d1\u5c55\uff0c\u5728\u8bb8\u591a\u4f18\u79c0\u7684\u8bc4\u8bba\u4e2d\u5f97\u5230\u4e86\u5e7f\u6cdb\u7684\u4ecb\u7ecd\u3002\u5c3d\u7ba1\u5c06\u795e\u7ecf\u7f51\u7edc\u5e94\u7528\u4e8e\u7ed3\u6784\u9884\u6d4b\u7684\u5386\u53f2\u60a0\u4e45\uff0c\u4f46\u5b83\u4eec\u6700\u8fd1\u624d\u5f00\u59cb\u6539\u8fdb\u7ed3\u6784\u9884\u6d4b\u3002\u8fd9\u4e9b\u65b9\u6cd5\u901a\u8fc7\u5c06\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u95ee\u9898\u5904\u7406\u4e3a\u5c06\u8fdb\u5316\u8026\u5408\u7684\u201c\u56fe\u50cf\u201d \u8f6c\u6362\u4e3a\u86cb\u767d\u8d28\u8ddd\u79bb\u77e9\u9635\u7684\u201c\u56fe\u50cf\u201d\uff0c\u7136\u540e\u5c06\u8ddd\u79bb\u9884\u6d4b\u96c6\u6210\u5230\u542f\u53d1\u5f0f\u7cfb\u7edf\u4e2d\uff0c\u4ece\u800c\u6709\u6548\u5730\u5229\u7528\u4e86\u8ba1\u7b97\u673a\u89c6\u89c9\u7cfb\u7edf\u7684\u5feb\u901f\u6539\u8fdb\u3002\u4ea7\u751f\u6700\u7ec8\u7684 3-D \u5750\u6807\u9884\u6d4b\u3002\u6700\u8fd1\u5f00\u53d1\u4e86\u4e00\u4e9b\u5de5\u4f5c\u6765\u76f4\u63a5\u9884\u6d4b 3-D \u5750\u6807 \uff0c\u4f46\u8fd9\u4e9b\u65b9\u6cd5\u7684\u51c6\u786e\u6027\u4e0e\u4f20\u7edf\u7684\u624b\u5de5\u7ed3\u6784\u9884\u6d4b\u7ba1\u9053\u4e0d\u5339\u914d \u3002\u540c\u65f6\uff0c\u57fa\u4e8e\u6ce8\u610f\u529b\u7684\u8bed\u8a00\u5904\u7406\u7f51\u7edc\u7684\u6210\u529f \u548c\u6700\u8fd1\u7684\u8ba1\u7b97\u673a\u89c6\u89c9\u6fc0\u53d1\u4e86\u5bf9\u89e3\u91ca\u86cb\u767d\u8d28\u5e8f\u5217\u7684\u57fa\u4e8e\u6ce8\u610f\u529b\u7684\u65b9\u6cd5\u7684\u63a2\u7d22\u3002<\/p>\n\n\n\n

\u8ba8\u8bba<\/h2>\n\n\n\n

\u6211\u4eec\u5728\u8bbe\u8ba1 AlphaFold \u65f6\u91c7\u7528\u7684\u65b9\u6cd5\u662f\u751f\u7269\u4fe1\u606f\u5b66\u548c\u7269\u7406\u65b9\u6cd5\u7684\u7ed3\u5408\uff1a\u6211\u4eec\u4f7f\u7528\u7269\u7406\u548c\u51e0\u4f55\u5f52\u7eb3\u504f\u5dee\u6765\u6784\u5efa\u7ec4\u4ef6\uff0c\u8fd9\u4e9b\u7ec4\u4ef6\u53ef\u4ee5\u4ece PDB \u6570\u636e\u4e2d\u5b66\u4e60\uff0c\u5e76\u6700\u5927\u9650\u5ea6\u5730\u51cf\u5c11\u624b\u5de5\u5236\u4f5c\u7684\u7279\u5f81\uff08\u4f8b\u5982\uff0cAlphaFold \u5728\u6ca1\u6709\u6c22\u7684\u60c5\u51b5\u4e0b\u6709\u6548\u5730\u6784\u5efa\u6c22\u952e\u503a\u5238\u8bc4\u5206\u51fd\u6570\uff09\u3002\u8fd9\u4f7f\u5f97\u7f51\u7edc\u4ece PDB \u4e2d\u7684\u6709\u9650\u6570\u636e\u4e2d\u66f4\u6709\u6548\u5730\u5b66\u4e60\uff0c\u4f46\u80fd\u591f\u5e94\u5bf9\u7ed3\u6784\u6570\u636e\u7684\u590d\u6742\u6027\u548c\u591a\u6837\u6027\u3002\u7279\u522b\u662f\uff0cAlphaFold \u80fd\u591f\u5904\u7406\u7f3a\u5931\u7684\u7269\u7406\u73af\u5883\uff0c\u5e76\u5728\u5177\u6709\u6311\u6218\u6027\u7684\u60c5\u51b5\u4e0b\u751f\u6210\u51c6\u786e\u7684\u6a21\u578b\uff0c\u4f8b\u5982\u4ea4\u7ec7\u7684\u540c\u6e90\u5f02\u6784\u4f53\u6216\u4ec5\u5728\u672a\u77e5\u8840\u7ea2\u7d20\u7ec4\u5b58\u5728\u65f6\u624d\u4f1a\u6298\u53e0\u7684\u86cb\u767d\u8d28\u3002\u5904\u7406\u672a\u6307\u5b9a\u7ed3\u6784\u6761\u4ef6\u7684\u80fd\u529b\u5bf9\u4e8e\u4ece PDB \u7ed3\u6784\u4e2d\u5b66\u4e60\u81f3\u5173\u91cd\u8981\uff0c\u56e0\u4e3a PDB \u4ee3\u8868\u4e86\u7ed3\u6784\u5df2\u88ab\u6c42\u89e3\u7684\u6240\u6709\u6761\u4ef6\u3002\u4e00\u822c\u6765\u8bf4\uff0cAlphaFold \u88ab\u8bad\u7ec3\u4ea7\u751f\u6700\u6709\u53ef\u80fd\u4f5c\u4e3a PDB \u7ed3\u6784\u7684\u4e00\u90e8\u5206\u51fa\u73b0\u7684\u86cb\u767d\u8d28\u7ed3\u6784\u3002\u5728\u7279\u5b9a\u5316\u5b66\u8ba1\u91cf\u6216\u914d\u4f53\/\u79bb\u5b50\u53ef\u5355\u72ec\u4ece\u5e8f\u5217\u9884\u6d4b\u7684\u60c5\u51b5\u4e0b\uff0cAlphaFold \u53ef\u80fd\u4f1a\u4ea7\u751f\u4e00\u79cd\u9690\u5f0f\u9075\u5b88\u8fd9\u4e9b\u7ea6\u675f\u7684\u7ed3\u6784\u3002<\/p>\n\n\n\n

AlphaFold \u5df2\u7ecf\u5411\u5b9e\u9a8c\u754c\u5c55\u793a\u4e86\u5b83\u7684\u5b9e\u7528\u6027\uff0c\u5305\u62ec\u5206\u5b50\u7f6e\u6362\u548c\u89e3\u91ca\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c (cryo-EM) \u56fe \u3002 \u6b64\u5916\uff0c\u7531\u4e8e AlphaFold \u76f4\u63a5\u8f93\u51fa\u86cb\u767d\u8d28\u5750\u6807\uff0c\u56e0\u6b64 AlphaFold \u4f1a\u6839\u636e\u86cb\u767d\u8d28\u5e8f\u5217\u7684\u957f\u5ea6\u4ee5\u56fe\u5f62\u5904\u7406\u5355\u5143 (GPU) \u5206\u949f\u5230 GPU \u5c0f\u65f6\u751f\u6210\u9884\u6d4b\uff08\u4f8b\u5982\uff0c\u5bf9\u4e8e 384 \u4e2a\u6b8b\u57fa\uff0c\u6bcf\u4e2a\u6a21\u578b\u5927\u7ea6 1 \u4e2a GPU \u5206\u949f\uff0c\u8bf7\u53c2\u9605\u65b9\u6cd5\u4e86\u89e3\u8be6\u7ec6\u4fe1\u606f \uff09\u3002 \u8fd9\u5f00\u8f9f\u4e86\u5728\u86cb\u767d\u8d28\u7ec4\u89c4\u6a21\u53ca\u5176\u4ed6\u8303\u56f4\u5185\u9884\u6d4b\u7ed3\u6784\u7684\u4ee4\u4eba\u5174\u594b\u7684\u53ef\u80fd\u6027\u3002<\/p>\n\n\n\n

\u53ef\u7528\u57fa\u56e0\u7ec4\u6d4b\u5e8f\u6280\u672f\u548c\u6570\u636e\u7684\u7206\u70b8\u5f0f\u589e\u957f\u5f7b\u5e95\u6539\u53d8\u4e86\u751f\u7269\u4fe1\u606f\u5b66\uff0c\u4f46\u5b9e\u9a8c\u7ed3\u6784\u6d4b\u5b9a\u7684\u5185\u5728\u6311\u6218\u963b\u6b62\u4e86\u6211\u4eec\u7ed3\u6784\u77e5\u8bc6\u7684\u7c7b\u4f3c\u6269\u5c55\u3002 \u901a\u8fc7\u5f00\u53d1\u51c6\u786e\u7684\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u7b97\u6cd5\uff0c\u518d\u52a0\u4e0a\u7531\u5b9e\u9a8c\u793e\u533a\u7ec4\u88c5\u7684\u73b0\u6709\u5927\u578b\u4e14\u7cbe\u5fc3\u51c6\u5907\u7684\u7ed3\u6784\u548c\u5e8f\u5217\u6570\u636e\u5e93\uff0c\u6211\u4eec\u5e0c\u671b\u52a0\u901f\u7ed3\u6784\u751f\u7269\u4fe1\u606f\u5b66\u7684\u8fdb\u6b65\uff0c\u4ee5\u8ddf\u4e0a\u57fa\u56e0\u7ec4\u5b66\u9769\u547d\u7684\u6b65\u4f10\u3002 \u6211\u4eec\u5e0c\u671b AlphaFold \u4ee5\u53ca\u5c06\u5176\u6280\u672f\u5e94\u7528\u4e8e\u5176\u4ed6\u751f\u7269\u7269\u7406\u95ee\u9898\u7684\u8ba1\u7b97\u65b9\u6cd5\u5c06\u6210\u4e3a\u73b0\u4ee3\u751f\u7269\u5b66\u7684\u91cd\u8981\u5de5\u5177\u3002<\/p>\n\n\n\n

\u5728\u7ebf\u5185\u5bb9<\/strong><\/p>\n\n\n\n

\u4efb\u4f55\u65b9\u6cd5\u3001\u9644\u52a0\u53c2\u8003\u8d44\u6599\u3001\u81ea\u7136\u7814\u7a76\u62a5\u544a\u6458\u8981\u3001\u6e90\u6570\u636e\u3001\u6269\u5c55\u6570\u636e\u3001\u8865\u5145\u4fe1\u606f\u3001\u81f4\u8c22\u3001\u540c\u884c\u8bc4\u5ba1\u4fe1\u606f\uff1b \u4f5c\u8005\u8d21\u732e\u548c\u7ade\u4e89\u5229\u76ca\u7684\u8be6\u7ec6\u4fe1\u606f\uff1b \u6570\u636e\u548c\u4ee3\u7801\u53ef\u7528\u6027\u58f0\u660e\u53ef\u5728 Highly accurate protein structure prediction with AlphaFold – Nature<\/a> \u4e0a\u83b7\u5f97\u3002<\/p>\n\n\n\n

 Highly accurate protein structure prediction with AlphaFold – Nature<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

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