{"id":50225,"date":"2024-05-09T21:24:38","date_gmt":"2024-05-09T13:24:38","guid":{"rendered":"https:\/\/swarma.org\/?p=50225"},"modified":"2024-05-09T21:24:38","modified_gmt":"2024-05-09T13:24:38","slug":"nature%e9%80%9f%e9%80%92%ef%bc%9aalphafold-3-%e9%a2%84%e6%b5%8b%e6%89%80%e6%9c%89%e7%94%9f%e5%91%bd%e5%88%86%e5%ad%90%e7%9a%84%e7%bb%93%e6%9e%84%e5%92%8c%e7%9b%b8%e4%ba%92%e4%bd%9c%e7%94%a8","status":"publish","type":"post","link":"https:\/\/swarma.org\/?p=50225","title":{"rendered":"Nature\u901f\u9012\uff1aAlphaFold 3 \u9884\u6d4b\u6240\u6709\u751f\u547d\u5206\u5b50\u7684\u7ed3\u6784\u548c\u76f8\u4e92\u4f5c\u7528"},"content":{"rendered":"
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AlphaFold 2\u7684\u95ee\u4e16\u5f15\u53d1\u4e86\u86cb\u767d\u8d28\u7ed3\u6784\u53ca\u5176\u76f8\u4e92\u4f5c\u7528\u5efa\u6a21\u7684\u9769\u547d\uff0c\u4f7f\u5f97\u5728\u86cb\u767d\u8d28\u5efa\u6a21\u548c\u8bbe\u8ba1\u9886\u57df\u6709\u4e86\u5e7f\u6cdb\u7684\u5e94\u7528\u3002Google DeepMind and Isomorphic Labs\u56e2\u961f\u57285\u67088\u65e5Nature\u7684\u6700\u65b0\u8bba\u6587\u201cAccurate structure prediction of biomolecular interactions with AlphaFold\u20093\u201d\u63cf\u8ff0\u4e86\u6700\u65b0\u63a8\u51fa\u7684AlphaFold 3 \u6a21\u578b\uff0c\u91c7\u7528\u4e86\u4e00\u4e2a\u5927\u5e45\u66f4\u65b0\u7684\u57fa\u4e8e\u6269\u6563\u7684\u67b6\u6784\uff0c\u80fd\u591f\u8054\u5408\u9884\u6d4b\u5305\u62ec\u86cb\u767d\u8d28\u3001\u6838\u9178\u3001\u5c0f\u5206\u5b50\u3001\u79bb\u5b50\u548c\u4fee\u9970\u6b8b\u57fa\u5728\u5185\u7684\u590d\u5408\u7269\u7684\u7ed3\u6784\u3002\u65b0\u7684 AlphaFold \u6a21\u578b\u5728\u8bb8\u591a\u5148\u524d\u4e13\u95e8\u5de5\u5177\u4e0a\u663e\u8457\u63d0\u9ad8\u4e86\u51c6\u786e\u6027\uff1a\u5728\u86cb\u767d\u8d28-\u914d\u4f53\u76f8\u4e92\u4f5c\u7528\u65b9\u9762\u6bd4\u6700\u5148\u8fdb\u7684\u5bf9\u63a5\u5de5\u5177\u51c6\u786e\u5f97\u591a\uff0c\u6bd4\u6838\u9178\u7279\u5f02\u6027\u9884\u6d4b\u5668\u5728\u86cb\u767d\u8d28-\u6838\u9178\u76f8\u4e92\u4f5c\u7528\u65b9\u9762\u5177\u6709\u66f4\u9ad8\u7684\u51c6\u786e\u6027\uff0c\u6bd4 AlphaFold-Multimer v2.3.\u5728\u6297\u4f53-\u6297\u539f\u9884\u6d4b\u51c6\u786e\u6027\u65b9\u9762\u663e\u8457\u66f4\u9ad8\u3002\u8fd9\u4e9b\u7ed3\u679c\u8868\u660e\uff0c\u5728\u5355\u4e00\u7edf\u4e00\u7684\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6\u5185\u5b9e\u73b0\u751f\u7269\u5206\u5b50\u7a7a\u95f4\u7684\u9ad8\u51c6\u786e\u5efa\u6a21\u662f\u53ef\u80fd\u7684\u3002<\/span><\/strong><\/section>\n

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\u5173\u952e\u8bcd\uff1aAI for Science\uff0c\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b<\/span><\/strong><\/section>\n<\/section>\n
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\u751f\u7269\u590d\u5408\u7269\u7684\u51c6\u786e\u6a21\u578b\u5bf9\u6211\u4eec\u7406\u89e3\u7ec6\u80de\u529f\u80fd\u4ee5\u53ca\u5408\u7406\u8bbe\u8ba1\u6cbb\u7597\u836f\u7269\u81f3\u5173\u91cd\u8981\u3002\u968f\u7740 AlphaFold \u7684\u53d1\u5c55\uff0c\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u53d6\u5f97\u4e86\u5de8\u5927\u8fdb\u5c55\uff0c\u8be5\u9886\u57df\u4e5f\u968f\u4e4b\u8fc5\u901f\u53d1\u5c55\uff0c\u5e76\u6709\u591a\u79cd\u540e\u7eed\u65b9\u6cd5\u5efa\u7acb\u5728 AlphaFold \u7684\u601d\u60f3\u548c\u6280\u672f\u57fa\u7840\u4e4b\u4e0a\u3002\u51e0\u4e4e\u5728 AlphaFold \u63a8\u51fa\u540e\u4e0d\u4e45\uff0c\u5c31\u663e\u793a\u51fa\u7b80\u5355\u7684\u8f93\u5165\u4fee\u6539\u80fd\u591f\u5b9e\u73b0\u51fa\u4eba\u610f\u6599\u7684\u51c6\u786e\u86cb\u767d\u8d28\u76f8\u4e92\u4f5c\u7528\u9884\u6d4b\uff0c\u5e76\u4e14\u4e13\u95e8\u9488\u5bf9\u86cb\u767d\u8d28\u76f8\u4e92\u4f5c\u7528\u9884\u6d4b\u8fdb\u884c AlphaFold 2 \u7684\u8bad\u7ec3\u5f97\u5230\u4e86\u4e00\u4e2a\u9ad8\u5ea6\u51c6\u786e\u7684\u7cfb\u7edf\u3002<\/span><\/section>\n<\/section>\n
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 AlphaFold 3<\/span>\uff08AF3\uff09<\/span>\u662f\u4e00\u4e2a\u80fd\u591f\u9ad8\u51c6\u786e\u5ea6\u9884\u6d4b\u5305\u542b\u51e0\u4e4e\u6240\u6709\u5728\u86cb\u767d\u8d28\u6570\u636e\u94f6\u884c<\/span>\uff08PDB\uff09<\/span>\u4e2d\u7684\u5206\u5b50\u7c7b\u578b\u7684\u590d\u5408\u7269\u7684\u6a21\u578b\u3002\u5728\u9664\u4e86\u4e00\u4e2a\u7c7b\u522b\u4e4b\u5916\u7684\u6240\u6709\u60c5\u51b5\u4e0b\uff0c\u5b83\u7684\u6027\u80fd\u90fd\u663e\u8457\u9ad8\u4e8e\u4e13\u95e8\u9488\u5bf9\u7279\u5b9a\u4efb\u52a1\u7684\u5f3a\u5927\u65b9\u6cd5\uff0c\u5305\u62ec\u86cb\u767d\u8d28\u7ed3\u6784\u548c\u86cb\u767d\u8d28-\u86cb\u767d\u8d28\u76f8\u4e92\u4f5c\u7528\u7684\u66f4\u9ad8\u51c6\u786e\u6027\u3002<\/span><\/section>\n

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\u8fd9\u662f\u901a\u8fc7\u5bf9 AlphaFold 2 \u67b6\u6784\u548c\u8bad\u7ec3\u8fc7\u7a0b\u7684\u91cd\u5927\u6f14\u8fdb\u5b9e\u73b0\u7684\uff0c\u65e2\u9002\u5e94\u66f4\u4e00\u822c\u7684\u5316\u5b66\u7ed3\u6784\uff0c\u53c8\u63d0\u9ad8\u4e86\u5b66\u4e60\u7684\u6570\u636e\u6548\u7387\u3002\u8be5\u7cfb\u7edf\u901a\u8fc7\u7528\u66f4\u7b80\u5355\u7684 Pairformer \u6a21\u5757\u66ff\u6362 AlphaFold 2 \u7684 Evoformer \u6765\u51cf\u5c11\u591a\u5e8f\u5217\u6bd4\u5bf9<\/span>\uff08MSA\uff09<\/span>\u5904\u7406\u7684\u6570\u91cf\u3002\u6b64\u5916\uff0c\u5b83\u901a\u8fc7\u4f7f\u7528\u6269\u6563\u6a21\u5757\u76f4\u63a5\u9884\u6d4b\u539f\u5b50\u5750\u6807\uff0c\u53d6\u4ee3\u4e86 AlphaFold 2 \u4e2d\u4f5c\u7528\u4e8e\u6c28\u57fa\u9178\u7279\u5b9a\u6846\u67b6\u548c\u4fa7\u94fe\u626d\u8f6c\u89d2\u7684\u7ed3\u6784\u6a21\u5757\u3002\u6269\u6563\u8fc7\u7a0b\u7684\u591a\u5c3a\u5ea6\u6027\u8d28<\/span>\uff08\u4f4e\u566a\u58f0\u6c34\u5e73\u4fc3\u4f7f\u7f51\u7edc\u6539\u5584\u5c40\u90e8\u7ed3\u6784\uff09<\/span>\u8fd8\u4f7f\u6211\u4eec\u80fd\u591f\u6d88\u9664\u7acb\u4f53\u5316\u5b66\u635f\u5931\uff0c\u5e76\u4e14\u5728\u7f51\u7edc\u4e2d\u5927\u90e8\u5206\u7279\u6b8a\u5904\u7406\u952e\u5408\u6a21\u5f0f\uff0c\u8f7b\u677e\u9002\u5e94\u4efb\u610f\u5316\u5b66\u7ec4\u5206\u3002<\/span><\/section>\n

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AF3\u7684\u6574\u4f53\u7ed3\u6784\u4e0eAlphaFold 2\u76f8\u4f3c\uff0c\u90fd\u6709\u4e00\u4e2a\u5927\u7684\u4e3b\u5e72\uff0c\u7528\u4e8e\u6f14\u5316\u51fa\u5316\u5b66\u590d\u5408\u7269\u7684\u6210\u5bf9\u8868\u793a\uff0c\u7136\u540e\u662f\u4e00\u4e2a\u7ed3\u6784\u6a21\u5757\uff0c\u5229\u7528\u8fd9\u79cd\u6210\u5bf9\u8868\u793a\u751f\u6210\u663e\u5f0f\u7684\u539f\u5b50\u4f4d\u7f6e\uff0c\u4f46\u662f\u6bcf\u4e2a\u4e3b\u8981\u7ec4\u4ef6\u90fd\u6709\u5f88\u5927\u7684\u4e0d\u540c\u3002\u8fd9\u4e9b\u4fee\u6539\u65e2\u662f\u4e3a\u4e86\u6ee1\u8db3\u5e7f\u6cdb\u7684\u5316\u5b66\u5b9e\u4f53\u800c\u4e0d\u8fc7\u5ea6\u7279\u6b8a\u5904\u7406\uff0c\u4e5f\u662f\u57fa\u4e8e\u5bf9AlphaFold 2\u5728\u4e0d\u540c\u4fee\u6539\u4e0b\u6027\u80fd\u7684\u89c2\u5bdf\u3002\u5728\u4e3b\u5e72\u4e2d\uff0cMSA\u5904\u7406\u88ab\u5927\u5e45\u51cf\u5c11\uff0c\u91c7\u7528\u4e86\u66f4\u5c0f\u66f4\u7b80\u5355\u7684MSA\u5d4c\u5165\u5757\u3002\u4e0eAlphaFold 2\u7684\u539f\u59cbEvoformer\u76f8\u6bd4\uff0c\u5757\u7684\u6570\u91cf\u51cf\u5c11\u5230\u56db\u4e2a\uff0cMSA\u8868\u793a\u7684\u5904\u7406\u91c7\u7528\u4e86\u5ec9\u4ef7\u7684\u6210\u5bf9\u52a0\u6743\u5e73\u5747\uff0c\u540e\u7eed\u5904\u7406\u6b65\u9aa4\u4ec5\u4f7f\u7528\u4e86\u6210\u5bf9\u8868\u793a\u3002”Pairformer”\u53d6\u4ee3\u4e86AlphaFold 2\u7684”Evoformer”\u6210\u4e3a\u4e3b\u8981\u7684\u5904\u7406\u5757\u3002\u5b83\u4ec5\u64cd\u4f5c\u6210\u5bf9\u8868\u793a\u548c\u5355\u4e00\u8868\u793a\uff1bMSA\u8868\u793a\u672a\u4fdd\u7559\uff0c\u6240\u6709\u4fe1\u606f\u90fd\u901a\u8fc7\u6210\u5bf9\u8868\u793a\u4f20\u9012\u3002\u6210\u5bf9\u5904\u7406\u548c\u5757\u7684\u6570\u91cf\u57fa\u672c\u4e0eAlphaFold 2\u76f8\u540c\u3002\u5f97\u5230\u7684\u6210\u5bf9\u548c\u5355\u4e00\u8868\u793a\u4e0e\u8f93\u5165\u8868\u793a\u4e00\u8d77\u4f20\u9012\u7ed9\u65b0\u7684\u6269\u6563\u6a21\u5757\uff0c\u53d6\u4ee3\u4e86AlphaFold 2\u7684\u7ed3\u6784\u6a21\u5757\u3002<\/span><\/section>\n

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\u7814\u7a76\u4eba\u5458\u8bc4\u4f30\u4e86\u8be5\u7cfb\u7edf\u5728\u6bcf\u79cd\u590d\u5408\u7269\u7c7b\u578b\u7684\u6700\u65b0\u754c\u9762\u7279\u5b9a\u57fa\u51c6\u4e0a\u7684\u6027\u80fd\u3002\u5bf9\u4e8e\u86cb\u767d\u8d28-\u914d\u4f53\u754c\u9762\u7684\u6027\u80fd\u8bc4\u4f30\u662f\u5728PoseBusters\u57fa\u51c6\u96c6\u4e0a\u8fdb\u884c\u7684\uff0c\u8be5\u96c6\u5408\u75312021\u5e74\u6216\u4e4b\u540e\u53d1\u5e03\u5230PDB\u7684428\u4e2a\u86cb\u767d\u8d28-\u914d\u4f53\u7ed3\u6784\u7ec4\u6210\u3002\u7531\u4e8e\u6211\u4eec\u7684\u6807\u51c6\u8bad\u7ec3\u622a\u6b62\u65e5\u671f\u662f\u57282021\u5e74\uff0c\u7814\u7a76\u4eba\u5458\u5355\u72ec\u8bad\u7ec3\u4e86\u4e00\u4e2a\u5e26\u6709\u8f83\u65e9\u8bad\u7ec3\u96c6\u622a\u6b62\u65e5\u671f\u7684AF3\u6a21\u578b\u3002\u5728PoseBusters\u96c6\u5408\u4e0a\u7684\u51c6\u786e\u5ea6\u62a5\u544a\u4e3a\u86cb\u767d\u8d28-\u914d\u4f53\u5bf9\u4e2d\u53e3\u888b\u5bf9\u9f50\u914d\u4f53RMSD\u5c0f\u4e8e2 \u00c5\u7684\u767e\u5206\u6bd4\u3002\u57fa\u51c6\u6a21\u578b\u5206\u4e3a\u4e24\u7c7b\uff1a\u4e00\u7c7b\u4ec5\u4f7f\u7528\u86cb\u767d\u8d28\u5e8f\u5217\u548c\u914d\u4f53SMILES\u4f5c\u4e3a\u8f93\u5165\uff0c\u53e6\u4e00\u7c7b\u5219\u989d\u5916\u6cc4\u9732\u4e86\u5df2\u89e3\u6790\u7684\u86cb\u767d\u8d28-\u914d\u4f53\u6d4b\u8bd5\u7ed3\u6784\u7684\u4fe1\u606f\u3002\u4f20\u7edf\u7684\u5bf9\u63a5\u65b9\u6cd5\u4f7f\u7528\u540e\u8005\u7684\u7279\u6743\u4fe1\u606f\uff0c\u5c3d\u7ba1\u5728\u5b9e\u9645\u4f7f\u7528\u60c5\u51b5\u4e0b\u8fd9\u4e9b\u4fe1\u606f\u4e0d\u53ef\u7528\u3002\u5373\u4fbf\u5982\u6b64\uff0cAlphaFold 3\u5728\u4e0d\u4f7f\u7528\u4efb\u4f55\u7ed3\u6784\u8f93\u5165\u7684\u60c5\u51b5\u4e0b\u4e5f\u5927\u5927\u4f18\u4e8e\u8bf8\u5982Vina\u7b49\u7ecf\u5178\u5bf9\u63a5\u5de5\u5177<\/span>\uff08Fisher\u7cbe\u786ep=2.27 * 10-13\uff09<\/span>\uff0c\u751a\u81f3\u5728\u4e0d\u4f7f\u7528\u4efb\u4f55\u7ed3\u6784\u8f93\u5165\u7684\u60c5\u51b5\u4e0b\u4e5f\u8fdc\u8fdc\u4f18\u4e8e\u6240\u6709\u5176\u4ed6\u771f\u6b63\u7684\u76f2\u5bf9\u63a5\u5de5\u5177\uff0c\u5982RoseTTAFold All-Atom<\/span>\uff08p=4.45 * 10-25\uff09<\/span>\u3002\u6269\u5c55\u6570\u636e\u56fe3\u663e\u793a\u4e86\u4e09\u4e2a\u793a\u4f8b\uff0c\u5176\u4e2dAlphaFold 3\u5b9e\u73b0\u4e86\u51c6\u786e\u9884\u6d4b\uff0c\u4f46\u5bf9\u63a5\u5de5\u5177Vina\u548cGold\u6ca1\u6709\u6210\u529f\u3002PoseBusters\u5206\u6790\u662f\u4f7f\u7528\u4e862019\u5e749\u670830\u65e5\u7684AlphaFold 3\u8bad\u7ec3\u622a\u6b62\u65e5\u671f\uff0c\u4ee5\u786e\u4fdd\u6a21\u578b\u672a\u7ecf\u8fc7PoseBusters\u7ed3\u6784\u7684\u8bad\u7ec3\u3002\u4e3a\u4e86\u4e0eRoseTTAFold All-Atom\u7684\u7ed3\u679c\u8fdb\u884c\u6bd4\u8f83\uff0c\u6211\u4eec\u4f7f\u7528\u4e86PoseBusters\u7248\u672c1\u3002\u7248\u672c2<\/span>\uff08\u4ece\u57fa\u51c6\u96c6\u4e2d\u53bb\u9664\u4e86\u6676\u4f53\u63a5\u89e6\uff09<\/span>\u7684\u7ed3\u679c\uff0c\u5305\u62ec\u8d28\u91cf\u6307\u6807\uff0c\u663e\u793a\u5728\u6269\u5c55\u6570\u636e\u56fe4b-f\u548c\u6269\u5c55\u6570\u636e\u88681\u4e2d\u3002\u6211\u4eec\u4f7f\u7528\u591a\u4e2a\u79cd\u5b50\u4ee5\u786e\u4fdd\u6b63\u786e\u7684\u7acb\u4f53\u5316\u5b66\u5e76\u907f\u514d\u8f7b\u5fae\u7684\u86cb\u767d\u8d28-\u914d\u4f53\u78b0\u649e<\/span>\uff08\u800c\u4e0d\u662f\u50cf\u6269\u6563\u5f15\u5bfc\u4e00\u6837\u5f3a\u5236\u6267\u884c\uff09<\/span>\uff0c\u4f46\u901a\u5e38\u80fd\u591f\u4ea7\u751f\u9ad8\u8d28\u91cf\u7684\u7acb\u4f53\u5316\u5b66\u3002\u53e6\u5916\uff0c\u6211\u4eec\u8fd8\u8bad\u7ec3\u4e86\u4e00\u4e2a\u63a5\u6536\u201c\u53e3\u888b\u4fe1\u606f\u201d\u7684AlphaFold 3\u7248\u672c\uff0c\u8fd9\u662f\u4e00\u4e9b\u6700\u8fd1\u6df1\u5ea6\u5b66\u4e60\u5de5\u4f5c\u6240\u4f7f\u7528\u7684\u3002
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\n
AF3\u80fd\u591f\u6bd4RoseTTAFold2NA\u66f4\u51c6\u786e\u5730\u9884\u6d4b\u86cb\u767d\u8d28-\u6838\u9178\u590d\u5408\u7269\u548cRNA\u7ed3\u6784\u3002\u7531\u4e8eRoseTTAFold2NA\u4ec5\u9488\u5bf91000\u4e2a\u6b8b\u57fa\u4ee5\u4e0b\u7684\u7ed3\u6784\u8fdb\u884c\u9a8c\u8bc1\uff0c\u7814\u7a76\u4eba\u5458\u4ec5\u4f7f\u7528\u6700\u8fd1\u7684PDB\u8bc4\u4f30\u96c6\u4e2d1000\u4e2a\u6b8b\u57fa\u4ee5\u4e0b\u7684\u7ed3\u6784\u8fdb\u884c\u6bd4\u8f83\u3002AlphaFold 3\u80fd\u591f\u9884\u6d4b\u5177\u6709\u6570\u5343\u4e2a\u6b8b\u57fa\u7684\u86cb\u767d\u8d28-\u6838\u9178\u7ed3\u6784\uff0c\u56fe3a\u663e\u793a\u4e86\u5176\u4e2d\u7684\u4e00\u4e2a\u793a\u4f8b\u3002\u8bf7\u6ce8\u610f\uff0c\u7814\u7a76\u4eba\u5458\u6ca1\u6709\u76f4\u63a5\u4e0eRoseTTAFold All-Atom\u8fdb\u884c\u6bd4\u8f83\uff0c\u4f46\u57fa\u51c6\u8868\u660e\uff0cRoseTTAFold All-Atom\u5728\u6838\u9178\u9884\u6d4b\u65b9\u9762\u4e0eRoseTTAFold2NA\u76f8\u5f53\u6216\u7565\u4f4e\u4e8e\u5176\u51c6\u786e\u6027\u3002\u7814\u7a76\u4eba\u5458\u8fd8\u8bc4\u4f30\u4e86AF3\u572810\u4e2a\u516c\u5f00\u53ef\u7528\u7684CASP15 RNA\u76ee\u6807\u4e0a\u7684\u8868\u73b0\uff1a\u7814\u7a76\u4eba\u5458\u5728\u81ea\u5df1\u548c\u5b83\u4eec\u7684\u9884\u6d4b\u7684\u516c\u5171\u5b50\u96c6\u4e0a\u7684\u5e73\u5747\u6027\u80fd\u9ad8\u4e8eRoseTTAFold2NA\u548cAIchemy_RNA<\/span>\uff08CASP15\u4e2d\u7684\u6700\u4f73\u57fa\u4e8eAI\u7684\u63d0\u4ea4\uff0c\u4e5f\u662f\u6700\u597d\u7684AI\uff09<\/span>\u3002\u5728\u5404\u81ea\u7684\u5e38\u89c1\u5b50\u96c6\u4e0a\uff0c\u89c1\u6269\u5c55\u6570\u636e\u56fe5a\u4ee5\u83b7\u53d6\u8be6\u7ec6\u7ed3\u679c\u3002\u7814\u7a76\u4eba\u5458\u6ca1\u6709\u8fbe\u5230\u6700\u4f73\u4eba\u7c7b\u4e13\u5bb6\u8f85\u52a9\u7684CASP15\u63d0\u4ea4AIchemy_RNA241\u7684\u6027\u80fd\u6c34\u5e73\u3002\u7531\u4e8e\u6570\u636e\u96c6\u5927\u5c0f\u6709\u9650\uff0c\u7814\u7a76\u4eba\u5458\u5728\u8fd9\u91cc\u4e0d\u62a5\u544a\u663e\u8457\u6027\u68c0\u9a8c\u7edf\u8ba1\u6570\u636e\u3002\u6709\u5173\u4ec5\u9884\u6d4b\u6838\u9178<\/span>\uff08\u4e0d\u5305\u62ec\u86cb\u767d\u8d28\uff09<\/span>\u7684\u51c6\u786e\u6027\u7684\u8fdb\u4e00\u6b65\u5206\u6790\uff0c\u8bf7\u53c2\u89c1\u6269\u5c55\u6570\u636e\u56fe5b\u3002<\/span><\/section>\n

<\/section>\n
AF3\u8fd8\u53ef\u4ee5\u51c6\u786e\u9884\u6d4b\u5171\u4ef7\u4fee\u9970<\/span>\uff08\u952e\u5408\u914d\u4f53\u3001\u7cd6\u57fa\u5316\u548c\u4fee\u9970\u7684\u86cb\u767d\u8d28\u6b8b\u57fa\u548c\u6838\u9178\u78b1\u57fa\uff09<\/span>\u3002\u8fd9\u4e9b\u4fee\u9970\u5305\u62ec\u4efb\u4f55\u805a\u5408\u7269\u6b8b\u57fa<\/span>\uff08\u86cb\u767d\u8d28\u3001RNA\u6216DNA\uff09<\/span>\u3002\u6211\u4eec\u5c06\u51c6\u786e\u6027\u62a5\u544a\u4e3a\u6210\u529f\u9884\u6d4b\u7684\u767e\u5206\u6bd4<\/span>\uff08\u53e3\u888bRMSD < 2 \u00c5\uff09<\/span>\u3002\u6211\u4eec\u5bf9\u952e\u5408\u914d\u4f53\u548c\u7cd6\u57fa\u5316\u6570\u636e\u96c6\u5e94\u7528\u8d28\u91cf\u8fc7\u6ee4\u5668<\/span>\uff08\u4e0ePoseBusters\u4e00\u6837\uff09<\/span>\uff1a\u6211\u4eec\u4ec5\u5305\u62ec\u5177\u6709\u9ad8\u8d28\u91cf\u5b9e\u9a8c\u6570\u636e\u7684\u914d\u4f53<\/span>\uff08\u6839\u636eRCSB\u7ed3\u6784\u9a8c\u8bc1\u62a5\u544a\uff0cranking_model_fit > 0.5\uff0c\u5373\u5177\u6709\u4e2d\u4f4d\u6570\u4ee5\u4e0a\u6a21\u578b\u8d28\u91cf\u7684X\u5c04\u7ebf\u7ed3\u6784\uff09<\/span>\u3002\u4e0ePoseBusters\u96c6\u5408\u4e00\u6837\uff0c\u952e\u5408\u914d\u4f53\u548c\u7cd6\u57fa\u5316\u6570\u636e\u96c6\u4e0d\u662f\u901a\u8fc7\u4e0e\u8bad\u7ec3\u6570\u636e\u96c6\u7684\u540c\u6e90\u6027\u6765\u7b5b\u9009\u7684\u3002\u57fa\u4e8e\u7ed3\u5408\u7684\u805a\u5408\u7269\u94fe\u540c\u6e90\u6027\u7684\u7b5b\u9009<\/span>\uff08\u4f7f\u7528\u805a\u5408\u7269\u6a21\u677f\u76f8\u4f3c\u5ea6 < 40\uff09<\/span>\u53ea\u4ea7\u751f\u4e865\u4e2a\u952e\u5408\u914d\u4f53\u548c7\u4e2a\u7cd6\u57fa\u5316\u7684\u805a\u7c7b\u3002\u5728\u8fd9\u91cc\uff0c\u6211\u4eec\u6392\u9664\u4e86\u591a\u6b8b\u57fa\u7cd6\u57fa\uff0c\u56e0\u4e3aRCSB\u9a8c\u8bc1\u62a5\u544a\u6ca1\u6709\u4e3a\u5b83\u4eec\u63d0\u4f9branking_model_fit\u503c\u3002\u5728\u6240\u6709\u8d28\u91cf\u5b9e\u9a8c\u6570\u636e\u4e0a\uff0c\u591a\u6b8b\u57fa\u7cd6\u57fa\u7684\u6210\u529f\u9884\u6d4b\u767e\u5206\u6bd4<\/span>\uff08\u53e3\u888bRMSD < 2 \u00c5\uff09<\/span>\u4e3a42.1%<\/span>\uff08N = 131\u805a\u7c7b\uff09<\/span>\uff0c\u7565\u4f4e\u4e8e\u6240\u6709\u8d28\u91cf\u5b9e\u9a8c\u6570\u636e\u4e0a\u5355\u6b8b\u57fa\u7cd6\u57fa\u7684\u6210\u529f\u738746.1%<\/span>\uff08N = 167\uff09<\/span>\u3002\u4fee\u6539\u7684\u6b8b\u57fa\u6570\u636e\u96c6\u4e0e\u6211\u4eec\u7684\u5176\u4ed6\u805a\u5408\u7269\u6d4b\u8bd5\u96c6\u7c7b\u4f3c\u8fdb\u884c\u4e86\u8fc7\u6ee4\uff1a\u5b83\u4ec5\u5305\u542b\u5177\u6709\u4e0e\u8bad\u7ec3\u96c6\u4f4e\u540c\u6e90\u6027\u7684\u805a\u5408\u7269\u94fe\u4e2d\u7684\u4fee\u6539\u6b8b\u57fa\u3002<\/span><\/section>\n

<\/section>\n
\u5728\u6269\u5c55\u5efa\u6a21\u80fd\u529b\u7684\u540c\u65f6\uff0c\u76f8\u5bf9\u4e8eAlphaFold-Multimer v2.3\uff0cAF3\u5728\u86cb\u767d\u8d28\u590d\u5408\u7269\u51c6\u786e\u6027\u4e0a\u4e5f\u6709\u6240\u63d0\u9ad8\u3002\u901a\u5e38\uff0c\u86cb\u767d\u8d28-\u86cb\u767d\u8d28\u9884\u6d4b\u6210\u529f\u7387<\/span>\uff08DockQ > 0.23\uff09<\/span>\u589e\u52a0\u4e86<\/span>\uff08\u914d\u5bf9Wilcoxon\u7b26\u53f7\u79e9\u68c0\u9a8c\uff0cp = 1.8 * 10-18\uff09<\/span>\uff0c\u7279\u522b\u662f\u6297\u4f53-\u86cb\u767d\u8d28\u76f8\u4e92\u4f5c\u7528\u7684\u9884\u6d4b\u8868\u73b0\u51fa\u663e\u8457\u6539\u5584\u3002\u5355\u4f53\u86cb\u767d\u8d28LDDT\u7684\u6539\u5584\u4e5f\u662f\u663e\u8457\u7684\u3002AF3\u5bf9MSA\u6df1\u5ea6\u7684\u4f9d\u8d56\u6027\u4e0eAF-M 2.3\u975e\u5e38\u76f8\u4f3c\uff1b\u5177\u6709\u6d45MSA\u7684\u86cb\u767d\u8d28\u9884\u6d4b\u51c6\u786e\u6027\u8f83\u4f4e\u3002<\/span><\/section>\n<\/section>\n
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\u9884\u6d4b\u7684\u7f6e\u4fe1\u5ea6\u4e0e\u51c6\u786e\u6027\u76f8\u4e00\u81f4<\/strong><\/span><\/strong><\/strong><\/p>\n<\/section>\n

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<\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n

\n
\u4e0eAlphaFold 2\u7c7b\u4f3c\uff0cAlphaFold 3\u7684\u7f6e\u4fe1\u5ea6\u5ea6\u91cf\u4e0e\u51c6\u786e\u6027\u5f88\u597d\u5730\u6821\u51c6\u3002\u7814\u7a76\u4eba\u5458\u7684\u7f6e\u4fe1\u5ea6\u5206\u6790\u662f\u5728\u6700\u8fd1\u7684PDB\u8bc4\u4f30\u96c6\u4e0a\u8fdb\u884c\u7684\uff0c\u6ca1\u6709\u540c\u6e90\u6027\u8fc7\u6ee4\uff0c\u5305\u62ec\u80bd\u6bb5\u3002\u6211\u4eec\u5bf9\u914d\u4f53\u7c7b\u522b\u8fdb\u884c\u4e86\u8fc7\u6ee4\uff0c\u53ea\u8003\u8651\u9ad8\u8d28\u91cf\u7684\u5b9e\u9a8c\u7ed3\u6784\uff0c\u5e76\u4e14\u53ea\u8003\u8651\u6807\u51c6\u7684\u975e\u952e\u5408\u914d\u4f53\u3002\u6709\u5173\u952e\u5408\u914d\u4f53\u548c\u5176\u4ed6\u754c\u9762\u7684\u7c7b\u4f3c\u8bc4\u4f30\uff0c\u8bf7\u53c2\u89c1\u6269\u5c55\u6570\u636e\u56fe8\u3002\u6240\u6709\u7edf\u8ba1\u6570\u636e\u90fd\u662f\u6309\u805a\u7c7b\u52a0\u6743\u7684\uff0c\u5e76\u4ec5\u8003\u8651\u6392\u540d\u6700\u9ad8\u7684\u9884\u6d4b\u3002<\/span><\/section>\n

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\u56fe4a\u7684\u9876\u90e8\u884c\u4e2d\uff0c\u6211\u4eec\u5c06\u94fe\u5bf9ipTM<\/span>\uff08\u754c\u9762\u9884\u6d4bTM\u5206\u6570\uff09<\/span>\u4e0e\u754c\u9762\u51c6\u786e\u6027\u5ea6\u91cf\u7ed8\u5236\u51fa\u6765\uff1a\u86cb\u767d\u8d28-\u86cb\u767d\u8d28DockQ\uff0c\u86cb\u767d\u8d28-\u6838\u9178iLDDT\u4ee5\u53ca\u86cb\u767d\u8d28-\u914d\u4f53\u6210\u529f\uff0c\u6210\u529f\u5b9a\u4e49\u4e3a\u5728\u7ecf\u8fc7\u9608\u503c\u5904\u7406\u7684\u53e3\u888b\u5bf9\u9f50RMSD\u503c\u4e0b\u7684\u4f8b\u5b50\u767e\u5206\u6bd4\u3002\u5728\u56fe4a\u7684\u5e95\u90e8\u884c\u4e2d\uff0c\u6211\u4eec\u5c06\u6bcf\u4e2a\u86cb\u767d\u8d28\u3001\u6838\u82f7\u9178\u6216\u914d\u4f53\u5b9e\u4f53\u7684\u5e73\u5747pLDDT\u7ed8\u5236\u51fa\u6765\uff0c\u4e0e\u6211\u4eec\u4e13\u95e8\u8bbe\u8ba1\u7684LDDT_to_polymer\u6307\u6807\u8fdb\u884c\u6bd4\u8f83\uff0c\u8be5\u6307\u6807\u4e0epLDDT\u9884\u6d4b\u5668\u7684\u8bad\u7ec3\u76ee\u6807\u5bc6\u5207\u76f8\u5173\u3002
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\u56fe4b-e\u4e2d\uff0c\u7814\u7a76\u4eba\u5458\u7a81\u51fa\u663e\u793a\u4e867T82\u7684\u5355\u4e2a\u793a\u4f8b\u9884\u6d4b\uff0c\u5176\u4e2d\u6bcf\u4e2a\u539f\u5b50\u7684pLDDT\u7740\u8272\u6807\u8bc6\u4e86\u4e0d\u786e\u5b9a\u7684\u94fe\u5c3e\u3001\u6709\u4e9b\u81ea\u4fe1\u7684\u754c\u9762\u4ee5\u53ca\u5176\u4f59\u81ea\u4fe1\u7684\u6b21\u7ea7\u7ed3\u6784\u3002\u5728\u56fe4c\u4e2d\uff0c\u76f8\u540c\u7684\u9884\u6d4b\u6309\u94fe\u8fdb\u884c\u4e86\u7740\u8272\uff0c\u56fe4d\u663e\u793a\u4e86DockQ\u754c\u9762\u8bc4\u5206\uff0c\u56fe4d\u7684\u8f74\u4e0a\u663e\u793a\u4e86\u6bcf\u4e2a\u94fe\u7684\u989c\u8272\u4f5c\u4e3a\u53c2\u8003\u3002\u4ece\u56fe4e\u4e2d\u6211\u4eec\u53ef\u4ee5\u770b\u5230\uff0c\u5bf9\u4e8eDockQ > 0.7\u7684\u7c89\u7070\u8272\u548c\u84dd\u6a59\u8272\u6b8b\u57fa\u5bf9\uff0cPAE\u7f6e\u4fe1\u5ea6\u5f88\u9ad8\uff0c\u800c\u5bf9\u4e8e\u5177\u6709DockQ\u22480\u7684\u7c89\u6a59\u8272\u548c\u7c89\u84dd\u8272\u6b8b\u57fa\u5bf9\uff0c\u7f6e\u4fe1\u5ea6\u6700\u4f4e\u3002\u5728\u53e6\u4e00\u4e2a\u793a\u4f8b\u4e2d\uff0c\u542b\u6709\u86cb\u767d\u8d28\u548c\u6838\u9178\u94fe\u7684PAE\u5206\u6790\u8bf7\u53c2\u89c1\u6269\u5c55\u6570\u636e\u56fe5c-d\u3002<\/span><\/section>\n<\/section>\n
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\u6a21\u578b\u5c40\u9650\u6027<\/strong><\/span><\/strong><\/strong><\/p>\n<\/section>\n

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<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/h3>\n


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\u7814\u7a76\u4eba\u5458\u6ce8\u610f\u5230AlphaFold 3\u6a21\u578b\u5728\u7acb\u4f53\u5316\u5b66\u3001\u5e7b\u89c9\u3001\u52a8\u6001\u6027\u548c\u5bf9\u67d0\u4e9b\u76ee\u6807\u7684\u51c6\u786e\u6027\u65b9\u9762\u5b58\u5728\u5c40\u9650\u6027\u3002<\/span><\/section>\n

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\u7acb\u4f53\u5316\u5b66\u65b9\u9762\uff0c\u7814\u7a76\u4eba\u5458\u6ce8\u610f\u5230\u4e24\u4e2a\u4e3b\u8981\u7684\u8fdd\u89c4\u7c7b\u522b\u3002\u9996\u5148\uff0c\u5c3d\u7ba1\u6a21\u578b\u63a5\u6536\u4e86\u5177\u6709\u6b63\u786e\u624b\u6027\u7684\u53c2\u8003\u7ed3\u6784\u4f5c\u4e3a\u8f93\u5165\u7279\u5f81\uff0c\u4f46\u6a21\u578b\u7684\u8f93\u51fa\u5e76\u4e0d\u603b\u662f\u9075\u5b88\u624b\u6027\u89c4\u5219\u3002\u4e3a\u4e86\u89e3\u51b3\u8fd9\u4e2a\u95ee\u9898\uff0c\u5728PoseBusters\u57fa\u51c6\u6d4b\u8bd5\u4e2d\uff0c\u7814\u7a76\u4eba\u5458\u5728\u6a21\u578b\u9884\u6d4b\u7684\u6392\u540d\u516c\u5f0f\u4e2d\u5305\u542b\u4e86\u624b\u6027\u8fdd\u89c4\u7684\u60e9\u7f5a\u9879\u3002\u5c3d\u7ba1\u5982\u6b64\uff0c\u7814\u7a76\u4eba\u5458\u4ecd\u7136\u89c2\u5bdf\u5230\u57fa\u51c6\u6d4b\u8bd5\u4e2d4.4%\u7684\u624b\u6027\u8fdd\u89c4\u7387\u3002\u7b2c\u4e8c\u7c7b\u7acb\u4f53\u5316\u5b66\u8fdd\u89c4\u662f\u6a21\u578b\u5076\u5c14\u4f1a\u4ea7\u751f\u91cd\u53e0<\/span>\uff08\u201c\u78b0\u649e\u201d\uff09<\/span>\u7684\u539f\u5b50\u9884\u6d4b\u3002\u6709\u65f6\u8fd9\u4f1a\u8868\u73b0\u4e3a\u540c\u6784\u4f53\u4e2d\u7684\u6781\u7aef\u8fdd\u89c4\uff0c\u5176\u4e2d\u6574\u4e2a\u94fe\u88ab\u89c2\u5bdf\u5230\u91cd\u53e0\u3002\u5728\u6392\u540d\u65f6\u5bf9\u78b0\u649e\u8fdb\u884c\u60e9\u7f5a\u53ef\u4ee5\u51cf\u5c11\u8fd9\u79cd\u6545\u969c\u6a21\u5f0f\u7684\u53d1\u751f\uff0c\u4f46\u65e0\u6cd5\u5b8c\u5168\u6d88\u9664\u3002\u51e0\u4e4e\u6240\u6709\u5269\u4f59\u7684\u78b0\u649e\u90fd\u53d1\u751f\u5728\u86cb\u767d\u8d28-\u6838\u9178\u590d\u5408\u7269\u4e2d\uff0c\u8fd9\u4e9b\u590d\u5408\u7269\u65e2\u6709\u8d85\u8fc7100\u4e2a\u6838\u82f7\u9178\u53c8\u6709\u8d85\u8fc72000\u4e2a\u6b8b\u57fa\u3002<\/span><\/section>\n

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\u7814\u7a76\u4eba\u5458\u6ce8\u610f\u5230\u4ece\u975e\u751f\u6210\u5f0f\u7684AlphaFold 2\u6a21\u578b\u8f6c\u6362\u4e3a\u57fa\u4e8e\u6269\u6563\u7684AlphaFold 3\u6a21\u578b\u5f15\u5165\u4e86\u5728\u65e0\u5e8f\u533a\u57df\u4ea7\u751f\u865a\u5047\u7ed3\u6784\u987a\u5e8f<\/span>\uff08\u5e7b\u89c9\uff09<\/span>\u7684\u6311\u6218\u3002\u867d\u7136\u5e7b\u89c9\u533a\u57df\u901a\u5e38\u88ab\u6807\u8bb0\u4e3a\u975e\u5e38\u4f4e\u7684\u7f6e\u4fe1\u5ea6\uff0c\u4f46\u5b83\u4eec\u53ef\u80fd\u7f3a\u4e4fAlphaFold 2\u5728\u65e0\u5e8f\u533a\u57df\u4ea7\u751f\u7684\u72ec\u7279\u7684\u4e1d\u5e26\u72b6\u5916\u89c2\u3002\u4e3a\u4e86\u5728AF3\u4e2d\u9f13\u52b1\u4ea7\u751f\u4e1d\u5e26\u72b6\u9884\u6d4b\uff0c\u6211\u4eec\u4f7f\u7528\u4e86AlphaFold 2\u9884\u6d4b\u7684\u84b8\u998f\u8bad\u7ec3\uff0c\u5e76\u6dfb\u52a0\u4e86\u4e00\u4e2a\u6392\u540d\u9879\u4ee5\u9f13\u52b1\u4ea7\u751f\u66f4\u591a\u7684\u6eb6\u5242\u53ef\u53ca\u8868\u9762\u79ef\u3002<\/span><\/section>\n<\/section>\n
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\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u6a21\u578b\u7684\u4e00\u4e2a\u5173\u952e\u5c40\u9650\u6027\u662f\u5b83\u4eec\u901a\u5e38\u9884\u6d4b\u7684\u662fPDB\u4e2d\u6240\u89c1\u7684\u9759\u6001\u7ed3\u6784\uff0c\u800c\u4e0d\u662f\u6eb6\u6db2\u4e2d\u751f\u7269\u5206\u5b50\u7cfb\u7edf\u7684\u52a8\u6001\u884c\u4e3a\u3002\u8fd9\u4e2a\u9650\u5236\u5728AlphaFold 3\u4e2d\u4ecd\u7136\u5b58\u5728\uff0c\u5373\u4f7f\u4f7f\u7528\u591a\u4e2a\u968f\u673a\u79cd\u5b50\u6765\u8fdb\u884c\u6269\u6563\u5934\u6216\u6574\u4e2a\u7f51\u7edc\u7684\u8bad\u7ec3\uff0c\u4e5f\u65e0\u6cd5\u4ea7\u751f\u89e3\u96c6\u7684\u8fd1\u4f3c\u3002<\/span><\/section>\n

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\u67d0\u4e9b\u60c5\u51b5\u4e0b\uff0c\u6a21\u62df\u7684\u6784\u8c61\u72b6\u6001\u53ef\u80fd\u4e0d\u6b63\u786e\u6216\u4e0d\u5168\u9762\uff0c\u9274\u4e8e\u6307\u5b9a\u7684\u914d\u4f53\u548c\u5176\u4ed6\u8f93\u5165\u3002\u4f8b\u5982\uff0cE3\u6cdb\u7d20\u8fde\u63a5\u9176\u5728\u5929\u7136\u72b6\u6001\u4e0b\u91c7\u7528\u5f00\u653e\u6784\u8c61\uff0c\u53ea\u6709\u5f53\u7ed3\u5408\u914d\u4f53\u65f6\u624d\u89c2\u5bdf\u5230\u95ed\u5408\u72b6\u6001\uff0c\u4f46\u662fAF3\u4e13\u95e8\u9884\u6d4b\u4e86\u95ed\u5408\u72b6\u6001\uff0c\u65e0\u8bba\u662f\u5728\u5b8c\u6574\u8fd8\u662f\u5929\u7136\u7cfb\u7edf\u4e2d\u3002\u8bb8\u591a\u65b9\u6cd5\u5df2\u7ecf\u88ab\u5f00\u53d1\u51fa\u6765\uff0c\u7279\u522b\u662f\u56f4\u7ed5MSA\u91cd\u65b0\u91c7\u6837\uff0c\u5b83\u4eec\u6709\u52a9\u4e8e\u4ece\u5148\u524d\u7684AlphaFold\u6a21\u578b\u4e2d\u751f\u6210\u591a\u6837\u6027\uff0c\u5e76\u4e14\u4e5f\u53ef\u80fd\u6709\u52a9\u4e8e\u4f7f\u7528AF3\u8fdb\u884c\u591a\u72b6\u6001\u9884\u6d4b\u3002<\/span><\/section>\n

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\u5206\u5b50\u751f\u7269\u5b66\u7684\u6838\u5fc3\u6311\u6218\u662f\u7406\u89e3\u5e76\u6700\u7ec8\u8c03\u63a7\u751f\u7269\u7cfb\u7edf\u4e2d\u590d\u6742\u7684\u539f\u5b50\u76f8\u4e92\u4f5c\u7528\u3002AlphaFold 3\u6a21\u578b\u671d\u7740\u8fd9\u4e2a\u65b9\u5411\u8fc8\u51fa\u4e86\u91cd\u8981\u7684\u4e00\u6b65\uff0c\u5c55\u793a\u4e86\u5728\u4e00\u4e2a\u7edf\u4e00\u7684\u6846\u67b6\u4e2d\u51c6\u786e\u9884\u6d4b\u5404\u79cd\u751f\u7269\u5206\u5b50\u7cfb\u7edf\u7684\u7ed3\u6784\u662f\u53ef\u80fd\u7684\u3002\u867d\u7136\u5728\u5b9e\u73b0\u6240\u6709\u7c7b\u578b\u7684\u76f8\u4e92\u4f5c\u7528\u7684\u9ad8\u5ea6\u51c6\u786e\u9884\u6d4b\u65b9\u9762\u4ecd\u5b58\u5728\u7740\u91cd\u5927\u6311\u6218\uff0c\u4f46\u7814\u7a76\u4eba\u5458\u8bc1\u660e\u4e86\u53ef\u4ee5\u6784\u5efa\u4e00\u4e2a\u6df1\u5ea6\u5b66\u4e60\u7cfb\u7edf\uff0c\u5b83\u5bf9\u6240\u6709\u8fd9\u4e9b\u76f8\u4e92\u4f5c\u7528\u90fd\u8868\u73b0\u51fa\u5f3a\u5927\u7684\u8986\u76d6\u548c\u6cdb\u5316\u80fd\u529b\u3002\u7814\u7a76\u4eba\u5458\u8fd8\u8bc1\u660e\u4e86\u7f3a\u4e4f\u8de8\u5b9e\u4f53\u8fdb\u5316\u4fe1\u606f\u5e76\u4e0d\u662f\u963b\u788d\u5728\u9884\u6d4b\u8fd9\u4e9b\u76f8\u4e92\u4f5c\u7528\u65b9\u9762\u53d6\u5f97\u8fdb\u5c55\u7684\u91cd\u5927\u969c\u788d\uff0c\u800c\u4e14\u6297\u4f53\u7ed3\u679c\u7684\u663e\u8457\u6539\u8fdb\u8868\u660eAlphaFold\u884d\u751f\u7684\u65b9\u6cd5\u80fd\u591f\u5728\u4e0d\u4f9d\u8d56MSA\u7684\u60c5\u51b5\u4e0b\u5bf9\u5206\u5b50\u76f8\u4e92\u4f5c\u7528\u7c7b\u522b\u7684\u5316\u5b66\u548c\u7269\u7406\u8fdb\u884c\u5efa\u6a21\u3002\u6700\u540e\uff0c\u86cb\u767d\u8d28-\u914d\u4f53\u7ed3\u6784\u9884\u6d4b\u7684\u5927\u5e45\u6539\u8fdb\u8868\u660e\uff0c\u5728\u901a\u7528\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6\u5185\uff0c\u5904\u7406\u5316\u5b66\u7a7a\u95f4\u7684\u5e7f\u6cdb\u591a\u6837\u6027\u662f\u53ef\u80fd\u7684\uff0c\u800c\u65e0\u9700\u4eba\u4e3a\u5730\u5c06\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u4e0e\u914d\u4f53\u5bf9\u63a5\u5206\u5f00\u3002<\/span><\/section>\n

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\u81ea\u4e0b\u800c\u4e0a\u5730\u5efa\u6a21\u7ec6\u80de\u7ec4\u5206\u662f\u89e3\u5f00\u7ec6\u80de\u5185\u5206\u5b50\u8c03\u63a7\u590d\u6742\u6027\u7684\u5173\u952e\u4e00\u6b65\uff0cAlphaFold 3\u7684\u6027\u80fd\u8868\u660e\uff0c\u5f00\u53d1\u6b63\u786e\u7684\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6\u53ef\u4ee5\u5927\u5927\u51cf\u5c11\u83b7\u5f97\u8fd9\u4e9b\u4efb\u52a1\u4e0a\u751f\u7269\u76f8\u5173\u6027\u80fd\u6240\u9700\u7684\u6570\u636e\u91cf\uff0c\u5e76\u653e\u5927\u5df2\u7ecf\u6536\u96c6\u5230\u7684\u6570\u636e\u7684\u5f71\u54cd\u3002\u7814\u7a76\u4eba\u5458\u9884\u8ba1\uff0c\u7ed3\u6784\u5efa\u6a21\u5c06\u7ee7\u7eed\u6539\u8fdb\uff0c\u4e0d\u4ec5\u662f\u56e0\u4e3a\u6df1\u5ea6\u5b66\u4e60\u7684\u8fdb\u6b65\uff0c\u8fd8\u56e0\u4e3a\u5b9e\u9a8c\u7ed3\u6784\u786e\u5b9a\u65b9\u6cd5\u7684\u6301\u7eed\u65b9\u6cd5\u5b66\u8fdb\u6b65\uff0c\u6bd4\u5982\u51b7\u51bb\u7535\u5b50\u663e\u5fae\u955c\u548c\u65ad\u5c42\u626b\u63cf\u7684\u663e\u8457\u6539\u8fdb\uff0c\u5c06\u4e3a\u8fd9\u4e9b\u6a21\u578b\u7684\u6cdb\u5316\u80fd\u529b\u63d0\u4f9b\u4e30\u5bcc\u7684\u65b0\u8bad\u7ec3\u6570\u636e\u3002\u5b9e\u9a8c\u548c\u8ba1\u7b97\u65b9\u6cd5\u7684\u5e76\u884c\u53d1\u5c55\u5c06\u63a8\u52a8\u6211\u4eec\u8fdb\u5165\u4e00\u4e2a\u7ed3\u6784\u4e0a\u660e\u667a\u7684\u751f\u7269\u7406\u89e3\u548c\u6cbb\u7597\u5f00\u53d1\u65f6\u4ee3\u3002<\/span><\/section>\n

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\u53c2\u8003\u8d44\u6599<\/span><\/strong><\/span><\/section>\n

1. Abramson, J., Adler, J., Dunger, J. et al. Accurate structure prediction of biomolecular interactions with AlphaFold\u20093. Nature (2024). https:\/\/doi.org\/10.1038\/s41586-024-07487-w<\/span><\/p>\n

2. https:\/\/blog.google\/technology\/ai\/google-deepmind-isomorphic-alphafold-3-ai-model\/<\/span><\/p>\n

3. https:\/\/www.isomorphiclabs.com\/articles\/alphafold-3-predicts-the-structure-and-interactions-of-all-of-lifes-molecules<\/span><\/p>\n

4. https:\/\/www.isomorphiclabs.com\/articles\/rational-drug-design-with-alphafold-3<\/span><\/p>\n


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\u5927\u6a21\u578b\u4e0e\u751f\u7269\u533b\u5b66\uff1a<\/strong><\/p>\n

AI + Science\u7b2c\u4e8c\u5b63\u8bfb\u4e66\u4f1a<\/strong><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n

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\u751f\u7269\u533b\u5b66\u662f\u4e00\u4e2a\u590d\u6742\u4e14\u5bcc\u6709\u6311\u6218\u6027\u7684\u9886\u57df\uff0c\u6d89\u53ca\u5230\u5927\u91cf\u7684\u6570\u636e\u5904\u7406\u3001\u6a21\u5f0f\u8bc6\u522b\u3001\u7406\u8bba\u6a21\u578b\u5efa\u6784\u548c\u5b9e\u9a8c\u9a8c\u8bc1\u7b49\u95ee\u9898\u3002AI\u57fa\u7840\u6a21\u578b\u7684\u5f15\u5165\uff0c\u4f7f\u5f97\u6211\u4eec\u80fd\u591f\u4ece\u524d\u6240\u672a\u6709\u7684\u89d2\u5ea6\u53bb\u89c2\u5bdf\u548c\u7406\u89e3\u8fd9\u4e2a\u9886\u57df\u7684\u95ee\u9898\uff0c\u52a0\u901f\u79d1\u5b66\u7814\u7a76\u7684\u6b65\u4f10\uff0c\u63d0\u9ad8\u533b\u7597\u670d\u52a1\u7684\u6548\u7387\u548c\u6548\u679c\u3002\u8fd9\u79cd\u4ea4\u53c9\u9886\u57df\u7684\u5408\u4f5c\uff0c\u6807\u5fd7\u7740\u6211\u4eec\u6b63\u5728\u5411\u79d1\u6280\u4e0e\u751f\u7269\u533b\u5b66\u6df1\u5ea6\u878d\u5408\u7684\u65b0\u65f6\u4ee3\u8fc8\u8fdb\uff0c\u5bf9\u4e8e\u63a8\u52a8\u79d1\u5b66\u7814\u7a76\u3001\u4f18\u5316\u533b\u7597\u670d\u52a1\u3001\u4fc3\u8fdb\u4eba\u7c7b\u5065\u5eb7\u6709\u7740\u6df1\u8fdc\u7684\u5f71\u54cd\u3002<\/span><\/section>\n

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\u96c6\u667a\u4ff1\u4e50\u90e8\u8054\u5408\u897f\u6e56\u5927\u5b66\u52a9\u7406\u6559\u6388\u5434\u6cf0\u9716\u3001\u65af\u5766\u798f\u5927\u5b66\u8ba1\u7b97\u673a\u79d1\u5b66\u7cfb\u535a\u58eb\u540e\u7814\u7a76\u5458\u738b\u701a\u5bb8\u3001\u535a\u58eb\u7814\u7a76\u751f\u9ec4\u67ef\u946b\u3001\u9ec4\u5029\uff0c\u534e\u76db\u987f\u5927\u5b66\u535a\u58eb\u7814\u7a76\u751f\u5c60\u946b\u660e\uff0c\u5171\u540c\u53d1\u8d77\u4ee5\u201c\u5927\u6a21\u578b\u4e0e\u751f\u7269\u533b\u5b66\u201d\u4e3a\u4e3b\u9898\u7684\u8bfb\u4e66\u4f1a\uff0c\u5171\u5b66\u5171\u7814\u76f8\u5173\u6587\u732e\uff0c<\/span><\/span>\u63a2\u8ba8\u57fa\u7840\u6a21\u578b\u5728\u751f\u7269\u533b\u5b66\u7b49\u79d1\u5b66\u9886\u57df\u7684\u5e94\u7528\u3001\u5f71\u54cd\u548c\u5c55\u671b\u3002<\/span><\/span><\/span>\u8bfb\u4e66\u4f1a\u5df2\u5b8c\u7ed3\uff0c\u73b0\u5728\u62a5\u540d\u53ef\u52a0\u5165\u793e\u7fa4\u5e76\u89e3\u9501<\/span>\u56de\u653e<\/span>\u89c6\u9891\u6743\u9650\u3002<\/span><\/span><\/section>\n

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\u8be6\u60c5\u8bf7\u89c1\uff1a<\/span><\/span><\/p>\n

\u5927\u6a21\u578b\u4e0e\u751f\u7269\u533b\u5b66\uff1aAI + Science\u7b2c\u4e8c\u5b63\u8bfb\u4e66\u4f1a\u542f\u52a8<\/a><\/span>
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\n
\u63a8\u8350\u9605\u8bfb<\/span><\/strong><\/strong><\/strong><\/section>\n
<\/strong><\/section>\n
1. <\/strong>Nat. Commun. \u901f\u9012\uff1a\u86cb\u767d\u8d28\u6298\u53e0\u8f6c\u6362\u7f51\u7edc\u7684\u8bbe\u8ba1\u548c\u89d2\u8272\u5851\u9020<\/a><\/strong><\/span><\/strong><\/section>\n
2. <\/strong>PNAS \u901f\u9012\uff1a\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u4e2d transformer \u7684\u53d8\u6362\u80fd\u529b<\/a><\/strong><\/span><\/strong><\/section>\n
3.<\/strong> \u5df4\u62c9\u5df4\u897f\u65b0\u4f5c\uff1aAI-Bind \u52a9\u529b\u86cb\u767d\u8d28-\u914d\u4f53\u7ed3\u5408\u9884\u6d4b<\/a><\/strong><\/span><\/section>\n
<\/a><\/a><\/strong><\/span><\/section>\n
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4. <\/strong><\/span>\u5f20\u6c5f\uff1a\u7b2c\u4e09\u4ee3\u4eba\u5de5\u667a\u80fd\u6280\u672f\u57fa\u7840\u2014\u2014\u4ece\u53ef\u5fae\u5206\u7f16\u7a0b\u5230\u56e0\u679c\u63a8\u7406 | \u96c6\u667a\u5b66\u56ed\u5168\u65b0\u8bfe\u7a0b<\/a><\/strong><\/strong><\/span><\/section>\n
5. <\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/a>\u9f99\u5e74\u5927\u8fd0\u8d77\uff0c\u5b66\u4e60\u6b63\u5f53\u65f6\uff01\u89e3\u9501\u96c6\u667a\u5168\u7ad9\u5185\u5bb9\uff0c\u5f00\u542f\u65b0\u5e74\u5b66\u4e60\u8ba1\u5212<\/a><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/span><\/strong><\/strong><\/section>\n
6. <\/strong>\u52a0\u5165\u96c6\u667a\uff0c\u4e00\u8d77\u590d\u6742\uff01<\/strong><\/span><\/a><\/section>\n

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\u70b9\u51fb\u201c\u9605\u8bfb\u539f\u6587\u201d\uff0c\u62a5\u540d\u8bfb\u4e66\u4f1a<\/strong><\/span><\/strong><\/span><\/strong><\/section>\n<\/section>\n<\/section>\n

<\/mp-style-type><\/p>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

 \u5bfc\u8bed AlphaFold 2\u7684\u95ee\u4e16\u5f15\u53d1\u4e86\u86cb\u767d\u8d28\u7ed3\u6784\u53ca\u5176\u76f8\u4e92\u4f5c\u7528\u5efa\u6a21\u7684\u9769\u547d\uff0c\u4f7f\u5f97\u5728\u86cb\u767d\u8d28\u5efa\u6a21\u548c\u8bbe\u8ba1\u9886\u57df\u6709\u4e86\u5e7f\u6cdb\u7684\u5e94\u7528\u3002Google DeepMind and Isomorphic Labs\u56e2\u961f\u57285\u67088\u65e5Nature\u7684\u6700\u65b0\u8bba\u6587\u201cAccurate structure prediction of…<\/p>\n","protected":false},"author":0,"featured_media":50217,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":[],"categories":[1],"tags":[],"special":[],"_links":{"self":[{"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/posts\/50225"}],"collection":[{"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/types\/post"}],"replies":[{"embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=50225"}],"version-history":[{"count":0,"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/posts\/50225\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/media\/50217"}],"wp:attachment":[{"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=50225"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=50225"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=50225"},{"taxonomy":"special","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fspecial&post=50225"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}