{"id":34914,"date":"2024-12-15T08:58:50","date_gmt":"2024-12-15T00:58:50","guid":{"rendered":"https:\/\/17aitech.com\/?p=34914"},"modified":"2024-12-15T08:58:50","modified_gmt":"2024-12-15T00:58:50","slug":"nature%e5%ad%90%e5%88%8a%ef%bc%8c%e5%bf%ab10%e5%80%8d%ef%bc%8c%e5%9f%ba%e4%ba%8etransformer%e7%9a%84%e9%80%86%e5%90%91%e8%9b%8b%e7%99%bd%e8%b4%a8%e5%ba%8f%e5%88%97%e8%ae%be%e8%ae%a1%e6%96%b9%e6%b3%95","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=34914","title":{"rendered":"Nature\u5b50\u520a\uff0c\u5feb10\u500d\uff0c\u57fa\u4e8eTransformer\u7684\u9006\u5411\u86cb\u767d\u8d28\u5e8f\u5217\u8bbe\u8ba1\u65b9\u6cd5"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:Nature\u5b50\u520a\uff0c\u5feb10\u500d\uff0c\u57fa\u4e8eTransformer\u7684\u9006\u5411\u86cb\u767d\u8d28\u5e8f\u5217\u8bbe\u8ba1\u65b9\u6cd5<\/a><\/p>\n

<\/a><\/p>\n

\u7f16\u8f91 | \u841d\u535c\u76ae<\/p>\n

\u501f\u52a9\u6df1\u5ea6\u5b66\u4e60<\/mark>\u7684\u8fdb\u6b65\uff0c\u86cb\u767d\u8d28\u8bbe\u8ba1\u548c\u5de5\u7a0b\u6b63\u4ee5\u524d\u6240\u672a\u6709\u7684\u901f\u5ea6\u53d1\u5c55\u3002\u7136\u800c\uff0c\u76ee\u524d\u7684\u6a21\u578b\u65e0\u6cd5\u5728\u8bbe\u8ba1\u8fc7\u7a0b\u4e2d\u81ea\u7136\u5730\u8003\u8651\u975e\u86cb\u767d\u8d28\u5b9e\u4f53\u3002<\/p>\n

\u5728\u8fd9\u91cc\uff0c\u745e\u58eb\u6d1b\u6851\u8054\u90a6\u7406\u5de5\u5b66\u9662\uff08EPFL\uff09\u7684\u7814\u7a76\u4eba\u5458\u63d0\u51fa\u4e86\u4e00\u79cd\u5b8c\u5168\u57fa\u4e8e\u539f\u5b50\u5750\u6807\u548c\u5143\u7d20\u540d\u79f0\u7684\u51e0\u4f55 transformer \u7684\u6df1\u5ea6\u5b66\u4e60<\/mark>\u65b9\u6cd5\uff0c\u8be5\u65b9\u6cd5\u53ef\u4ee5\u6839\u636e\u4e0d\u540c\u5206\u5b50\u73af\u5883\u6240\u65bd\u52a0\u9650\u5236\u7684\u4e3b\u94fe\u652f\u67b6\uff0c\u9884\u6d4b\u86cb\u767d\u8d28\u5e8f\u5217\u3002<\/p>\n

\u4f7f\u7528\u8be5\u65b9\u6cd5\uff0c\u7814\u7a76\u4eba\u5458\u53ef\u4ee5\u4ee5\u9ad8\u6210\u529f\u7387\u751f\u4ea7\u51fa\u9ad8\u70ed\u7a33\u5b9a\u6027\u3001\u50ac\u5316\u6d3b\u6027\u7684\u9176\u3002\u8fd9\u6709\u671b\u63d0\u9ad8\u86cb\u767d\u8d28\u8bbe\u8ba1\u6d41\u7a0b\u7684\u591a\u529f\u80fd\u6027\uff0c\u4ee5\u5b9e\u73b0\u6240\u9700\u7684\u529f\u80fd\u3002<\/p>\n

\u8be5\u7814\u7a76\u4ee5\u300cContext-aware geometric deep learning for protein sequence design<\/em>\u300d\u4e3a\u9898\uff0c\u4e8e 2024 \u5e74 7 \u6708 25 \u65e5\u53d1\u5e03\u5728\u300aNature Communications<\/em>\u300b\u3002<\/p>\n

<\/a><\/p>\n

\u8bbe\u8ba1\u86cb\u767d\u8d28\u4ee5\u5b9e\u73b0\u529f\u80fd\u6027\u4efb\u52a1\u662f\u4e00\u4e2a\u5177\u6709\u91cd\u5927\u751f\u7269\u5b66\u3001\u533b\u5b66\u3001\u751f\u7269\u6280\u672f\u548c\u6750\u6599\u79d1\u5b66\u5f71\u54cd\u7684\u6311\u6218\u3002\u4e00\u4e2a\u5173\u952e\u5e94\u7528\u9886\u57df\u662f\u86cb\u767d\u8d28\u6cbb\u7597\u836f\u7269\u7684\u8bbe\u8ba1\uff0c\u901a\u8fc7\u5b9a\u5236\u86cb\u767d\u8d28\u6765\u7cbe\u786e\u9488\u5bf9\u7279\u5b9a\u75be\u75c5\uff0c\u53ef\u80fd\u6bd4\u5c0f\u5206\u5b50\u836f\u7269\u66f4\u5177\u7ade\u4e89\u529b\u3002\u8fd9\u79cd\u65b9\u6cd5\u53ef\u80fd\u9769\u65b0\u8bb8\u591a\u5065\u5eb7\u95ee\u9898\u7684\u6cbb\u7597\u65b9\u5f0f\uff0c\u4ece\u81ea\u8eab\u514d\u75ab\u75be\u75c5\u5230\u764c\u75c7\uff0c\u63d0\u4f9b\u66f4\u6709\u6548\u548c\u4e2a\u6027\u5316\u7684\u6cbb\u7597\u65b9\u6848\u3002<\/p>\n

\u6b64\u5916\uff0c\u8bbe\u8ba1\u9176\u529f\u80fd\u4e5f\u662f\u86cb\u767d\u8d28\u8bbe\u8ba1\u4e2d\u7684\u53e6\u4e00\u4e2a\u91cd\u8981\u6311\u6218\u3002\u9176\u4f5c\u4e3a\u5929\u7136\u50ac\u5316\u5242\u5728\u751f\u7269\u8fc7\u7a0b\u4e2d\u8d77\u5173\u952e\u4f5c\u7528\u3002\u901a\u8fc7\u8bbe\u8ba1\u65b0\u9176\u6216\u6539\u9020\u73b0\u6709\u9176\uff0c\u53ef\u4ee5\u521b\u9020\u51fa\u4fc3\u8fdb\u81ea\u7136\u754c\u4e2d\u7f55\u89c1\u6216\u4e0d\u5b58\u5728\u53cd\u5e94\u7684\u50ac\u5316\u5242\u3002\u8fd9\u5bf9\u591a\u4e2a\u884c\u4e1a\u6709\u6df1\u8fdc\u5f71\u54cd\uff0c\u5305\u62ec\u5236\u836f\u4e1a\u548c\u73af\u4fdd\u6280\u672f\uff0c\u4f8b\u5982\u5408\u6210\u590d\u6742\u836f\u7269\u5206\u5b50\u6216\u5206\u89e3\u6c61\u67d3\u7269\u548c\u5851\u6599\u3002<\/p>\n

\u6df1\u5ea6\u5b66\u4e60<\/mark>\u65b9\u6cd5\u663e\u8457\u52a0\u901f\u4e86\u86cb\u767d\u8d28\u8bbe\u8ba1\u7684\u6210\u529f\u7387\u548c\u591a\u6837\u6027\u3002\u7136\u800c\uff0c\u867d\u7136\u76ee\u524d\u7684\u86cb\u767d\u8d28\u8bbe\u8ba1\u6a21\u578b\u53ef\u4ee5\u5904\u7406\u591a\u6761\u86cb\u767d\u8d28\u94fe\uff0c\u4f46\u5728\u5904\u7406\u975e\u86cb\u767d\u8d28\u5b9e\u4f53\u65f6\u8868\u73b0\u8f83\u5dee\uff0c\u9650\u5236\u4e86\u5176\u5e94\u7528\u8303\u56f4\u3002<\/p>\n

\u4e3a\u89e3\u51b3\u8fd9\u4e00\u95ee\u9898\uff0cEPFL \u7684\u7814\u7a76\u56e2\u961f\u66fe\u7ecf\u5f15\u5165\u4e86\u4e00\u79cd\u6df1\u5ea6\u5b66\u4e60<\/mark>\u6a21\u578b\u2014\u2014Protein Structure Transformer\uff08PeSTo\uff09\uff0c\u4e00\u79cd\u51e0\u4f55 transformer \u67b6\u6784\uff0c\u4f5c\u7528\u4e8e\u539f\u5b50\u70b9\u4e91\u3002<\/p>\n

PeSTo \u7ed3\u5408\u4e86 transformer \u6ce8\u610f\u529b\u673a\u5236<\/mark>\uff0c\u5229\u7528\u6807\u91cf\u548c\u77e2\u91cf\u72b6\u6001\u8868\u793a\u539f\u5b50\uff0c\u53ef\u4ee5\u9884\u6d4b\u51e0\u4e4e\u4efb\u4f55\u5206\u5b50\u4e0e\u86cb\u767d\u8d28\u754c\u9762\u7684\u76f8\u4e92\u4f5c\u7528\uff0c\u5305\u62ec\u86cb\u767d\u8d28\u3001\u6838\u9178\u3001\u8102\u7c7b\u3001\u79bb\u5b50\u3001\u5c0f\u914d\u4f53\u3001\u8f85\u56e0\u5b50\u6216\u78b3\u6c34\u5316\u5408\u7269\u3002<\/p>\n

\u5728\u6700\u65b0\u7684\u5de5\u4f5c\u4e2d\uff0c\u8be5\u56e2\u961f\u5229\u7528\u8be5\u6a21\u578b\u7684\u72ec\u7279\u529f\u80fd\uff0c\u5e76\u5f15\u5165\u4e86\u57fa\u4e8e PeSTo \u7684\u86cb\u767d\u8d28\u5e8f\u5217\u751f\u6210\u5668\u6a21\u578b CARBonAra\uff08Context-aware Amino acid Recovery from Backbone Atoms and heteroatoms\uff09\u3002<\/p>\n

CARBonAra \u57fa\u4e8e PDB \u4e2d\u53ef\u7528\u7684\u7ed3\u6784\u6570\u636e\u8fdb\u884c\u72ec\u7279\u8bad\u7ec3\uff0c\u53ef\u9884\u6d4b\u7ed9\u5b9a\u4e3b\u94fe\u652f\u67b6\u6240\u6709\u4f4d\u7f6e\u7684\u6c28\u57fa\u9178\u7f6e\u4fe1\u5ea6\uff0c\u8fd9\u4e9b\u4e3b\u94fe\u652f\u67b6\u53ef\u4ee5\u5355\u72ec\u63d0\u4f9b\uff0c\u4e5f\u53ef\u4ee5\u4e0e\u4efb\u4f55\u79cd\u7c7b\u548c\u6570\u91cf\u7684\u6709\u52a9\u4e8e\u63a8\u52a8\u5e8f\u5217\u8bbe\u8ba1\u7684\u5206\u5b50\u590d\u5408\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1aCARBonAra\u7684\u67b6\u6784\u4ee5\u53ca\u4e0e SOTA \u65b9\u6cd5\u7684\u6bd4\u8f83\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n

CARBonAra \u7684\u7ec4\u6210\u4e0e\u6027\u80fd<\/strong><\/p>\n

CARBonAra \u4f7f\u7528\u7531\u51e0\u4f55 transformer \u7ec4\u6210\u7684\u6df1\u5ea6\u5b66\u4e60<\/mark>\u6a21\u578b\uff0c\u9884\u6d4b\u4ece\u8f93\u5165\u4e3b\u5e72\u652f\u67b6\u4e2d\u5728\u86cb\u767d\u8d28\u5e8f\u5217\u7684\u6bcf\u4e2a\u4f4d\u7f6e\u627e\u5230\u7ed9\u5b9a\u6c28\u57fa\u9178\u7684\u53ef\u80fd\u6027\u3002CARBonAra \u5c06\u4e3b\u94fe\u539f\u5b50\uff08C\u03b1\u3001C\u3001N\u3001O\uff09\u7684\u5750\u6807\u548c\u5143\u7d20\u4f5c\u4e3a\u8f93\u5165\uff0c\u5e76\u4f7f\u7528\u7406\u60f3\u7684\u952e\u89d2\u548c\u952e\u957f\u6dfb\u52a0\u865a\u62df C\u03b2 \u539f\u5b50\u3002\u51e0\u4f55\u5f62\u72b6\u4f7f\u7528\u6bcf\u4e2a\u539f\u5b50\u4e4b\u95f4\u7684\u8ddd\u79bb\u548c\u5f52\u4e00\u5316\u76f8\u5bf9\u4f4d\u79fb\u77e2\u91cf\u6765\u63cf\u8ff0\u3002<\/p>\n

\u51e0\u4f55 transformer \u64cd\u4f5c\u5bf9\u6240\u6709\u76f8\u90bb\u539f\u5b50\u7684\u76f8\u4e92\u4f5c\u7528\u8fdb\u884c\u7f16\u7801\uff0c\u5e76\u4f7f\u7528 transformer \u5904\u7406\u6807\u91cf\u548c\u77e2\u91cf\u4fe1\u606f\u5e76\u66f4\u65b0\u6bcf\u4e2a\u539f\u5b50\u7684\u72b6\u6001\u3002\u6700\u540e\uff0c\u901a\u8fc7\u5c06\u539f\u5b50\u72b6\u6001\u4ece\u539f\u5b50\u7ea7\u522b\u6c47\u96c6\u5230\u6b8b\u57fa\u7ea7\u522b\uff0c\u7814\u7a76\u4eba\u5458\u8bad\u7ec3\u6a21\u578b\u4ee5\u4f4d\u7f6e\u7279\u5b9a\u8bc4\u5206\u77e9\u9635\u7684\u5f62\u5f0f\u9884\u6d4b\u86cb\u767d\u8d28\u5e8f\u5217\u6bcf\u4e2a\u4f4d\u7f6e\u7684\u6c28\u57fa\u9178\u7f6e\u4fe1\u5ea6\u3002<\/p>\n

\u5b9e\u9645\u4e0a\uff0c\u8fd9\u4e9b\u7f6e\u4fe1\u5ea6\u53ef\u4ee5\u88ab\u89e3\u91ca\u4e3a\u5e76\u6620\u5c04<\/mark>\u5230\u6982\u7387\u4e2d\uff0c\u901a\u8fc7\u8868\u5f81\u5728\u7ed9\u5b9a\u6bcf\u79cd\u6c28\u57fa\u9178\u7c7b\u578b\u7684\u9884\u6d4b\u7f6e\u4fe1\u5ea6\u7684\u60c5\u51b5\u4e0b\u6b63\u786e\u9884\u6d4b\u7684\u6982\u7387\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1a\u9884\u6d4b\u7f6e\u4fe1\u5206\u6790\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n

\u4e0e\u5176\u4ed6\u6a21\u578b\u4e00\u6837\uff0cCARBonAra \u901a\u8fc7\u4f7f\u7528\u72ec\u70ed\u7f16\u7801<\/mark>\u5c06\u7279\u5b9a\u6c28\u57fa\u9178\u7684\u5148\u524d\u5e8f\u5217\u4fe1\u606f\u5370\u5165\u4e3b\u94fe\u539f\u5b50\u6765\u652f\u6301\u81ea\u56de\u5f52\u9884\u6d4b\u3002<\/p>\n

\u6700\u91cd\u8981\u7684\u662f\uff0cCARBonAra \u7ee7\u627f\u4e86 PeSTo \u4ec5\u4f7f\u7528\u5143\u7d20\u540d\u79f0\u548c\u539f\u5b50\u5750\u6807\u7684\u80fd\u529b\uff0c\u65e0\u9700\u8fdb\u884c\u5927\u91cf\u53c2\u6570<\/mark>\u5316\uff0c\u4ece\u800c\u53ef\u4ee5\u8f7b\u677e\u9002\u5e94\u5404\u79cd\u573a\u666f\u3002<\/p>\n

\u56e0\u6b64\uff0cCARBonAra \u53ef\u4ee5\u89e3\u6790\u548c\u5904\u7406\u6b63\u5728\u8bbe\u8ba1\u7684\u86cb\u767d\u8d28\u4e3b\u94fe\u9644\u8fd1\u7684\u4efb\u4f55\u5206\u5b50\u5b9e\u4f53\uff0c\u5176\u4e2d\u5305\u62ec\u5176\u4ed6\u86cb\u767d\u8d28\u3001\u5c0f\u5206\u5b50\u3001\u6838\u9178\u3001\u8102\u8d28\u3001\u79bb\u5b50\u548c\u6c34\u5206\u5b50\u7b49\u4e00\u7cfb\u5217\u8f93\u5165\u3002<\/p>\n

\u6570\u636e\u96c6<\/strong><\/p>\n

\u5229\u7528 CARBonAra \u56fa\u6709\u7684\u7075\u6d3b\u6027\uff0c\u7814\u7a76\u4eba\u5458\u80fd\u591f\u5c06 RCSB PDB \u4e2d\u7684\u6240\u6709\u751f\u7269\u7ec4\u88c5\u4f53\u7eb3\u5165\u4ed6\u4eec\u7684\u8bad\u7ec3\u6570\u636e\u96c6\u3002<\/p>\n

\u8fd9\u5305\u62ec\u4e0e\u5176\u4ed6\u5206\u5b50\u5b9e\u4f53\uff08\u5982\u79bb\u5b50\u3001\u914d\u4f53\u3001\u6838\u9178\u7b49\uff09\u590d\u5408\u7684\u86cb\u767d\u8d28\u3002\u8bad\u7ec3\u6570\u636e\u96c6\u7531\u5927\u7ea6 370,000 \u4e2a\u4e9a\u57fa\u7ec4\u6210\uff0c\u9a8c\u8bc1\u6570\u636e\u96c6\u4e2d\u8fd8\u4f7f\u7528\u4e86\u53e6\u5916 100,000 \u4e2a\u4e9a\u57fa\uff0c\u6240\u6709\u8fd9\u4e9b\u4e9a\u57fa\u5747\u6765\u81ea RCSB PDB \u751f\u7269\u7ec4\u88c5\u4f53\uff0c\u5e76\u88ab\u6ce8\u91ca\u4e3a\u6700\u4f73\u53ef\u80fd\u3002<\/p>\n

\u4e0e\u4ee5\u524d\u5efa\u7acb\u7684\u65b9\u6cd5\u76f8\u6bd4\uff0c\u9075\u5faa\u7a0d\u5fae\u66f4\u4e25\u683c\u7684\u534f\u8bae\uff0c\u6d4b\u8bd5\u6570\u636e\u96c6\u7531\u5927\u7ea6 70,000 \u4e2a\u4e9a\u57fa\u7ec4\u6210\uff0c\u4e0e\u6ca1\u6709\u5171\u4eab CATH \u57df\u7684\u8bad\u7ec3\u96c6\u4e0d\u540c\uff0c\u5e76\u4e14\u5728\u4f4e\u4e8e 30% \u7684\u5e8f\u5217\u540c\u4e00\u6027\u4e0b\u8fdb\u884c\u8fc7\u6ee4\u3002<\/p>\n

\u8be5\u9009\u62e9\u6807\u51c6\u786e\u4fdd\u4e86\u6d4b\u8bd5\u7684\u7a33\u5065\u6027\uff0c\u56e0\u4e3a\u5b83\u6392\u9664\u4e86\u8bad\u7ec3\u6570\u636e\u96c6\u4e2d\u5b58\u5728\u7684\u7c7b\u4f3c\u6298\u53e0\u548c\u5e8f\u5217\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1a\u5728 GPU \u4e0a\u8fd0\u884c\u65f6\u5206\u6790\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n

\u5bf9\u4e8e\u4ece\u4e0d\u542b\u975e\u86cb\u767d\u8d28\u5206\u5b50\u7684\u9aa8\u67b6\u7ed3\u6784\u4e2d\u5206\u79bb\u86cb\u767d\u8d28\u6216\u86cb\u767d\u8d28\u590d\u5408\u7269\u7684\u5e8f\u5217\u8bbe\u8ba1\uff0cCARBonAra \u7684\u8868\u73b0\u4e0e ProteinMPNN \u548c ESM-IF1 \u7b49\u6700\u5148\u8fdb\u7684\u5e8f\u5217\u9884\u6d4b\u65b9\u6cd5\u76f8\u5f53\uff0c\u5e76\u4e14\u8ba1\u7b97\u6210\u672c\u5177\u6709\u7ade\u4e89\u529b\uff08\u5728 GPU \u4e0a\u6bd4 ProteinMPNN \u5feb\u7ea6 3 \u500d\uff0c\u6bd4 ESM-IF1 \u5feb 10 \u500d\uff09\u3002<\/p>\n

\u4ece\u4e3b\u94fe\u7ed3\u6784\u91cd\u5efa\u86cb\u767d\u8d28\u5e8f\u5217<\/strong><\/p>\n

\u8be5\u65b9\u6cd5\u5728\u4ece\u4e3b\u94fe\u7ed3\u6784\u91cd\u5efa\u86cb\u767d\u8d28\u5e8f\u5217\u65f6\uff0c\u86cb\u767d\u8d28\u5355\u4f53\u8bbe\u8ba1\u7684\u5e8f\u5217\u6062\u590d\u7387\u4e2d\u503c\u4e3a 51.3%\uff0c\u4e8c\u805a\u4f53\u8bbe\u8ba1\u7684\u5e8f\u5217\u6062\u590d\u7387\u4e2d\u503c\u4e3a 56.0%\u3002\u5c3d\u7ba1\u6062\u590d\u7387\u76f8\u4f3c\uff0c\u4f46\u4e09\u79cd\u65b9\u6cd5\u7684\u6700\u4f73\u5e8f\u5217\u4e4b\u95f4\u7684\u5e8f\u5217\u540c\u4e00\u6027\u4e2d\u503c\u4e3a 54% \u81f3 58% \u4e0d\u7b49\u3002<\/p>\n

\u6b64\u5916\uff0c\u7814\u7a76\u4eba\u5458\u89c2\u5bdf\u5230 CARBonAra \u53ef\u4ee5\u751f\u6210\u9ad8\u8d28\u91cf\u5e8f\u5217\uff0c\u5f53\u5728\u5355\u5e8f\u5217\u6a21\u5f0f\u4e0b\u4f7f\u7528 AlphaFold<\/mark> \u9884\u6d4b\u65f6\uff0c\u8fd9\u4e9b\u5e8f\u5217\u53ef\u4ee5\u6309\u9884\u671f\u6298\u53e0\uff0cTM \u5206\u6570\u9ad8\u4e8e 0.9\u3002<\/p>\n

CARBonAra \u5728\u86cb\u767d\u8d28\u6838\u5fc3\u5904\u5b66\u4e60\u4e86\u66f4\u7d27\u5bc6\u7684\u6c28\u57fa\u9178\u5305\u88c5\uff0c\u4ece\u800c\u5bfc\u81f4\u66f4\u9ad8\u7684\u56de\u6536\u7387\u5e76\u53cd\u6620\u4e86\u5bf9\u5178\u578b\u7684\u57cb\u85cf\u6c28\u57fa\u9178\u53d6\u4ee3\u7684\u8f83\u4f4e\u8010\u53d7\u6027\uff0c\u540c\u65f6\u5141\u8bb8\u86cb\u767d\u8d28\u8868\u9762\u5177\u6709\u66f4\u9ad8\u7684\u53ef\u53d8\u6027\uff0c\u9664\u975e\u63d0\u4f9b\u989d\u5916\u7684\u529f\u80fd\u6216\u7ed3\u6784\u9650\u5236\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1a\u57cb\u85cf\u4e8e\u8868\u9762\u7684\u6c28\u57fa\u9178\u7684\u5206\u6790\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n

\u4ece\u4e3b\u5e72\u652f\u67b6\u8fdb\u884c\u5e8f\u5217\u9884\u6d4b\u7684\u65b9\u6cd5\u4e3b\u8981\u5728\u5177\u6709\u7406\u60f3\u4e3b\u5e72\u51e0\u4f55\u5f62\u72b6\u7684\u5b9e\u9a8c\u6570\u636e\u4e0a\u8fdb\u884c\u8bad\u7ec3\uff0c\u5f53\u5e94\u7528\u4e8e\u751f\u6210\u7684\u4e3b\u5e72\u65f6\u4f1a\u5bfc\u81f4\u6027\u80fd\u4e0b\u964d\u3002\u5728\u8bad\u7ec3\u8fc7\u7a0b\u4e2d\u5411\u51e0\u4f55\u56fe\u5f62\u6dfb\u52a0\u566a\u58f0\u53ef\u4ee5\u7f13\u89e3\u6b64\u95ee\u9898\u3002<\/p>\n

\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u5c06 CARBonAra \u5e94\u7528\u4e8e\u5206\u5b50\u52a8\u529b\u5b66 (MD) \u6a21\u62df\u7684\u7ed3\u6784\u8f68\u8ff9\u6765\u8868\u5f81\u8be5\u65b9\u6cd5\u7684\u7a33\u5065\u6027\u3002\u7531\u4e8e\u4e3b\u94fe\u6784\u8c61\u53d8\u5316\u548c\u5148\u524d\u663e\u793a\u4f4e\u6062\u590d\u7387\u7684\u75c5\u4f8b\u589e\u52a0\uff0c\u5e8f\u5217\u6062\u590d\u7387\uff0853\u00b110%\uff09\u4e0e\u4e00\u81f4\u9884\u6d4b\uff0854\u00b17%\uff09\u6ca1\u6709\u663e\u8457\u4e0b\u964d\u3002<\/p>\n

\u540c\u65f6\uff0c\u7814\u7a76\u4eba\u5458\u89c2\u5bdf\u5230\u6bcf\u4e2a\u4f4d\u7f6e\u9884\u6d4b\u7684\u53ef\u80fd\u7684\u6c28\u57fa\u9178\u6570\u91cf\u666e\u904d\u51cf\u5c11\uff0c\u8fd9\u8868\u660e\u63a2\u7d22\u6784\u8c61\u7a7a\u95f4\u6b63\u5728\u9650\u5236\u5e8f\u5217\u7a7a\u95f4\uff0c\u4ece\u800c\u4f7f\u5f97\u80fd\u591f\u8bbe\u8ba1\u6709\u9488\u5bf9\u6027\u7684\u7ed3\u6784\u6784\u8c61\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1a\u4e3b\u94fe\u6784\u8c61\u5bf9\u9884\u6d4b\u7684\u5f71\u54cd\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/section>\n

\u5177\u6709\u8d85\u51fa\u86cb\u767d\u8d28\u8bbe\u8ba1\u672c\u8eab\u7684\u610f\u4e49<\/strong><\/p>\n

\u7814\u7a76\u4eba\u5458\u5728\u4e00\u4e2a\u4e3b\u529b\u7cfb\u7edf\uff08\u5373 TEM-1 \u4e1d\u6c28\u9178 \u03b2-\u5185\u9170\u80fa\u9176\uff09\u4e0a\u8fdb\u884c\u4e86\u5b9e\u9a8c\uff0c\u5c55\u793a\u4e86 CARBonAra \u5982\u4f55\u5904\u7406\u9176\u5de5\u7a0b\u7684\u6311\u6218\uff0c\u8bbe\u8ba1\u51fa\u5728\u9ad8\u6e29\u4e0b\u6298\u53e0\u5e76\u4fdd\u6301\u50ac\u5316\u6d3b\u6027\u7684\u5b9e\u9645\u86cb\u767d\u8d28\u3002\u6b64\u5916\uff0c\u7814\u7a76\u4eba\u5458\u8fd8\u63a2\u7d22\u4e86\u4ece CARBonAra \u7684\u8f93\u51fa\u4e2d\u91c7\u6837\u86cb\u767d\u8d28\u5e8f\u5217\u7a7a\u95f4\u7684\u91cd\u70b9\u7b56\u7565\u3002<\/p>\n

\u7531\u4e8e\u4e0d\u80fd\u786e\u5b9a\u7531\u5f97\u5206\u6700\u9ad8\u7684\u6c28\u57fa\u9178\u4ea7\u751f\u7684\u86cb\u767d\u8d28\u5e8f\u5217\u662f\u5426\u5177\u6709\u529f\u80fd\u6027\uff0c\u56e0\u6b64\u9700\u8981\u91c7\u7528\u53d6\u6837\u7b56\u7565\u6765\u4ea7\u751f\u53ef\u4ee5\u5728\u4f53\u5916\u91cd\u7ec4\u8868\u8fbe\u4e14\u7a33\u5b9a\u4e14\u5177\u6709\u529f\u80fd\u7684\u86cb\u767d\u8d28\u3002<\/p>\n

\u76ee\u524d\u4e3a\u6b62\uff0c\u8fd9\u5c1a\u672a\u7ecf\u8fc7\u5f7b\u5e95\u6d4b\u8bd5\u3002\u8be5\u56e2\u961f\u5728\u6b64\u8868\u660e\uff0c\u9002\u5f53\u7684\u91c7\u6837\u7b56\u7565\u4e0d\u4ec5\u53ef\u4ee5\u751f\u6210\u4e30\u5bcc\u7684\u4fe1\u606f\u6765\u4ea7\u751f\u8d77\u4f5c\u7528\u7684\u86cb\u767d\u8d28\uff0c\u800c\u4e14\u8fd8\u53ef\u4ee5\u751f\u6210\u53cd\u6620\u5728\u81ea\u7136\u5e8f\u5217\u4e2d\u89c2\u5bdf\u5230\u7684\u6216\u901a\u8fc7\u8bf1\u53d8\u548c\u9009\u62e9\u5b9e\u9a8c\u91c7\u6837\u7684\u81ea\u7136\u53d8\u5f02\u7684\u5408\u6210\u591a\u5e8f\u5217\u6bd4\u5bf9\u3002<\/p>\n

\u8fd9\u5177\u6709\u8d85\u51fa\u86cb\u767d\u8d28\u8bbe\u8ba1\u672c\u8eab\u7684\u610f\u4e49\uff0c\u7279\u522b\u662f\u4e3a\u4e86\u89e3\u86cb\u767d\u8d28\u5728\u751f\u7269\u7269\u7406\u4e00\u81f4\u7684\u86cb\u767d\u8d28\u8fdb\u5316\u6a21\u578b\u6846\u67b6\u5185\u5982\u4f55\u8fdb\u5316\u6253\u5f00\u4e86\u4e00\u6247\u7a97\u6237\u3002<\/p>\n

\u4ece\u6839\u672c\u4e0a\u6765\u8bf4\uff0c\u63d0\u9ad8\u8ba1\u7b97\u8bbe\u8ba1\u7684\u6210\u529f\u7387\u5bf9\u4e8e\u771f\u6b63\u638c\u63e1\u8fd9\u4e00\u9886\u57df\u975e\u5e38\u91cd\u8981\uff0c\u66f4\u5b9e\u9645\u7684\u662f\uff0c\u53ef\u4ee5\u5728\u5b9e\u9a8c\u5ba4\u4e2d\u5c1d\u8bd5\u5b9e\u9645\u8868\u8fbe\u548c\u7eaf\u5316\u65f6\u964d\u4f4e\u6210\u672c\u3002<\/p>\n

\u8d85\u9ad8\u6210\u529f\u7387<\/strong><\/p>\n

\u73b0\u5728\u57fa\u4e8e\u4eba\u5de5\u667a\u80fd<\/mark>\u7684\u65b9\u6cd5\u5f00\u59cb\u7a33\u5b9a\u4e0b\u6765\uff0c\u8fd9\u6210\u4e3a\u4e00\u4e2a\u91cd\u8981\u7684\u8ba8\u8bba\u70b9\u3002\u4e0d\u540c\u7684\u65b9\u6cd5\u548c\u62a5\u544a\u663e\u793a\u7684\u6210\u529f\u7387\u5dee\u5f02\u5f88\u5927\uff0c\u4f46\u901a\u5e38\u4e0d\u6e05\u695a\u5982\u4f55\u8bc4\u4f30\u6bcf\u79cd\u65b9\u6cd5\u3002<\/p>\n

Chroma \u8fdb\u884c\u4e86\u975e\u5e38\u4fdd\u5b88\u7684\u8bc4\u4f30\uff0c\u5c06\u5176\u6210\u529f\u7387\u8bbe\u5b9a\u4e3a 3% \u5de6\u53f3\uff0c\u800c\u00a0RoseTTAFold\/ProteinMPNN \u8bba\u6587\u62a5\u544a\u79f0\u51e0\u79cd\u86cb\u767d\u8d28\u7684\u5e73\u5747\u6210\u529f\u7387\u4e3a 15%\u3002<\/p>\n

\u4f7f\u7528\u8be5\u7814\u7a76\u62a5\u544a\u7684 TEM-1 \u03b2-\u5185\u9170\u80fa\u9176\u8bbe\u8ba1\uff0c\u6210\u529f\u7387\u8fbe\u5230 40%\u3002\u540c\u6837\uff0cTIM \u6876\u548c NTF2 \u6298\u53e0\u7684\u6210\u529f\u7387\u4e5f\u9ad8\u8fbe 40-55%\uff0c\u8fdc\u9ad8\u4e8e\u4e4b\u524d\u7684\u5e73\u5747 15%\u3002<\/p>\n

\u9002\u5408\u63d0\u9ad8\u86cb\u767d\u70ed\u7a33\u5b9a\u6027<\/strong><\/p>\n

\u9664\u4e86\u76f4\u63a5\u5e94\u7528\u4e8e\u8bbe\u8ba1\u65b0\u86cb\u767d\u8d28\u548c\u8c03\u6574\u86cb\u767d\u8d28\u529f\u80fd\u4e4b\u5916\uff0cCARBonAra \u4f3c\u4e4e\u8fd8\u975e\u5e38\u9002\u5408\u63d0\u9ad8\u70ed\u7a33\u5b9a\u6027\uff0c\u5c31\u50cf\u5176\u4ed6\u86cb\u767d\u8d28\u8bbe\u8ba1\u65b9\u6cd5\u4e00\u6837\uff0c\u5b83\u4eec\u4e5f\u80fd\u4ea7\u751f\u575a\u56fa\u3001\u9ad8\u70ed\u7a33\u5b9a\u6027\u7684\u86cb\u767d\u8d28\u3002<\/p>\n

\u8fd9\u4e00\u89c2\u5bdf\u7ed3\u679c\u63ed\u793a\u7684\u4e00\u4e2a\u6709\u8da3\u65b9\u9762\u4e0e\u7528\u4e8e\u7a33\u5b9a\u5236\u9020\u548c\u5de5\u4e1a\u8fc7\u7a0b\u7684\u9176\u7684\u8bbe\u8ba1\u5e8f\u5217\u7684\u77e5\u8bc6\u4ea7\u6743\u6709\u5173\uff1a\u901a\u5e38\uff0c\u8bbe\u8ba1\u7684\u9176\u4f1a\u4ee5\u8986\u76d6\u8f83\u5c0f\u4f46\u76f8\u5f53\u5927\u7684\u5e8f\u5217\u76f8\u4f3c\u6027\u8303\u56f4\u7684\u65b9\u5f0f\u53d7\u5230\u4fdd\u62a4\u3002<\/p>\n

\u4ece\u5386\u53f2\u4e0a\u770b\uff0c\u8fd9\u5df2\u7ecf\u8db3\u591f\u5168\u9762\u4e86\uff1b\u7136\u800c\uff0c\u5305\u62ec CARBonAra \u5728\u5185\u7684\u73b0\u4ee3\u86cb\u767d\u8d28\u8bbe\u8ba1\u65b9\u6cd5\u53ef\u4ee5\u8bbe\u8ba1\u51fa\u76f8\u4f3c\u6027\u4f4e\u5f97\u591a\u7684\u86cb\u767d\u8d28\uff0c\u8fd9\u4e9b\u86cb\u767d\u8d28\u53ef\u4ee5\u4fdd\u7559\u529f\u80fd\u5e76\u9ad8\u5ea6\u7a33\u5b9a\u3002<\/p>\n

\u7ed3\u8bed<\/strong><\/p>\n

\u5c55\u671b\u672a\u6765\uff0c\u4e0e\u5176\u4ed6\u86cb\u767d\u8d28\u8bbe\u8ba1\u65b9\u6cd5\u76f8\u6bd4\uff0cCARBonAra \u5177\u6709\u4e00\u4e9b\u4f18\u52bf\uff0c\u4e3b\u8981\u4e0e\u5176\u4ec5\u57fa\u4e8e\u5143\u7d20\u540d\u79f0\u548c\u5750\u6807\u7684\u5185\u90e8\u5de5\u4f5c\u6709\u5173\uff0c\u4e0d\u9700\u8981\u4efb\u4f55\u8fdb\u4e00\u6b65\u7684\u53c2\u6570<\/mark>\u5316\u6216\u4e2d\u95f4\u8ba1\u7b97\u3002<\/p>\n

\u56e0\u6b64\uff0cCARBonAra \u770b\u8d77\u6765\u6bd4\u5176\u4ed6\u66ff\u4ee3\u65b9\u6848\u66f4\u7075\u6d3b\u3002\u56e0\u4e3a\u5b83\u53ef\u4ee5\u4ece\u672c\u8d28\u4e0a\u89e3\u6790\u4efb\u4f55\u7c7b\u578b\u7684\u5206\u5b50\u7cfb\u7edf\uff0c\u6240\u4ee5\u53ef\u4ee5\u5bf9\u5176\u4ed6\u7c7b\u578b\u7684\u751f\u7269\u5206\u5b50\uff08\u4f8b\u5982\u6838\u9178\u3001\u5c0f\u5206\u5b50\u3001\u79bb\u5b50\uff0c\u751a\u81f3\u6c34\uff09\u6216\u751f\u7269\u7ec4\u5408\u4e2d\u672a\u53d1\u73b0\u7684\u5206\u5b50\uff08\u5982\u6750\u6599\u548c\u8868\u9762\uff09\u8fdb\u884c\u8bad\u7ec3\uff0c\u524d\u63d0\u662f\u6709\u8db3\u591f\u7684\u6570\u636e\u3002<\/p>\n

\u603b\u4e4b\uff0cCARBonAra \u72ec\u7279\u5730\u57fa\u4e8e\u7ed3\u6784\u6570\u636e\uff0c\u662f\u4e00\u79cd\u6982\u5ff5\u4e0a\u4e0d\u540c\u7684\u86cb\u767d\u8d28\u5e8f\u5217\u9884\u6d4b\u548c\u8bbe\u8ba1\u65b9\u6cd5\uff0c\u5177\u6709\u89e3\u51b3\u5206\u5b50\u8bbe\u8ba1\u548c\u5408\u6210\u751f\u7269\u5b66\u672a\u6765\u6311\u6218\u6240\u9700\u7684\u989d\u5916\u7075\u6d3b\u6027\u3002<\/p>\n

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.nature.com\/articles\/s41467-024-50571-y<\/em><\/p>\n

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