{"id":35319,"date":"2024-12-23T01:59:55","date_gmt":"2024-12-22T17:59:55","guid":{"rendered":"https:\/\/17aitech.com\/?p=35319"},"modified":"2024-12-23T01:59:55","modified_gmt":"2024-12-22T17:59:55","slug":"%e5%87%86%e7%a1%ae%e9%a2%84%e6%b5%8b%e8%9b%8b%e7%99%bd%e8%b4%a8%e3%80%8c%e8%bf%90%e5%8a%a8%e3%80%8d%ef%bc%9falphafold%e8%9e%8d%e5%90%88%e7%89%a9%e7%90%86%e7%9f%a5%e8%af%86%ef%bc%8c%e5%8d%97%e4%ba%ac","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=35319","title":{"rendered":"\u51c6\u786e\u9884\u6d4b\u86cb\u767d\u8d28\u300c\u8fd0\u52a8\u300d\uff1fAlphaFold\u878d\u5408\u7269\u7406\u77e5\u8bc6\uff0c\u5357\u4eac\u5927\u5b66\u56e2\u961f\u86cb\u767d\u6784\u8c61\u8fd0\u52a8\u65b0\u7b56\u7565"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:\u51c6\u786e\u9884\u6d4b\u86cb\u767d\u8d28\u300c\u8fd0\u52a8\u300d\uff1fAlphaFold\u878d\u5408\u7269\u7406\u77e5\u8bc6\uff0c\u5357\u4eac\u5927\u5b66\u56e2\u961f\u86cb\u767d\u6784\u8c61\u8fd0\u52a8\u65b0\u7b56\u7565<\/a><\/p>\n

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

\u7f16\u8f91 |\u00a0KX<\/p>\n

\u86cb\u767d\u8d28\u5982\u4f55\u8fdb\u884c\u6784\u8c61\u8fd0\u52a8\uff0c\u4e0d\u4ec5\u662f\u4e00\u4e2a\u57fa\u672c\u7684\u751f\u7269\u7269\u7406\u95ee\u9898\uff0c\u800c\u4e14\u5bf9\u4e8e\u836f\u7269\u8bbe\u8ba1\u7b49\u5b9e\u9645\u5e94\u7528\u4e5f\u81f3\u5173\u91cd\u8981\u3002\u5c3d\u7ba1\u6df1\u5ea6\u5b66\u4e60\u65b9\u6cd5\uff0c\u6bd4\u5982 AlphaFold2 \u548c\u00a0RoseTTAFold\uff0c\u53ef\u4ee5\u9ad8\u901a\u91cf\u9884\u6d4b\u86cb\u767d\u8d28\u7684\u9759\u6001\u7ed3\u6784\uff0c\u4f46\u9884\u6d4b\u6784\u8c61\u8fd0\u52a8\u4ecd\u7136\u662f\u4e00\u4e2a\u6311\u6218\u3002<\/p>\n

\u5728\u6b64\uff0c\u5357\u4eac\u5927\u5b66\u3001\u9999\u6e2f\u6d78\u4f1a\u5927\u5b66\uff08Hong Kong Baptist University\uff09\u3001\u4e2d\u56fd\u79d1\u5b66\u9662\u5927\u5b66\u4ee5\u53ca\u660c\u5e73\u5b9e\u9a8c\u5ba4\u548c\u83b1\u65af\u5927\u5b66\u5408\u4f5c\uff0c\u627e\u5230\u4e86\u4e00\u79cd\u65b0\u7684\u65b9\u6cd5\u6765\u9884\u6d4b\u86cb\u767d\u8d28\u5728\u53d1\u6325\u4f5c\u7528\u65f6\u5982\u4f55\u6539\u53d8\u5f62\u72b6\uff0c\u8fd9\u5bf9\u4e8e\u4e86\u89e3\u5b83\u4eec\u5728\u751f\u7269\u7cfb\u7edf\u4e2d\u7684\u5de5\u4f5c\u65b9\u5f0f\u975e\u5e38\u91cd\u8981\u3002<\/p>\n

\u7814\u7a76\u4eba\u5458\u63d0\u51fa\u4e86\u4e00\u79cd\u89e3\u51b3\u6784\u8c61\u8fd0\u52a8\u7684\u7b56\u7565\uff0c\u5373\u5c06 AF2 \u7684\u9884\u6d4b\u80fd\u529b\u4e0e\u86cb\u767d\u8d28\u6784\u8c61\u8fd0\u52a8\u7684\u80fd\u91cf\u666f\u89c2\u5206\u6790\u76f8\u7ed3\u5408\u3002\u7814\u7a76\u8868\u660e\uff0c\u5c40\u90e8\u80fd\u91cf\u632b\u6298\uff08\u91cf\u5316\u53d8\u6784\u86cb\u767d\u8d28\u7684\u80fd\u91cf\u666f\u89c2\u7279\u5f81\uff09\u53ef\u7528\u4e8e\u589e\u5f3a AlphaFold2 \u9884\u6d4b\u86cb\u767d\u8d28\u6784\u8c61\u8fd0\u52a8\u7684\u80fd\u529b\u3002<\/p>\n

\u300c\u4ece\u9884\u6d4b\u7684\u9759\u6001\u57fa\u6001\u7ed3\u6784\u5f00\u59cb\uff0c\u65b0\u65b9\u6cd5\u901a\u8fc7\u9996\u5148\u53d1\u73b0\uff0c\u7136\u540e\u9010\u6b65\u589e\u5f3a\u7f16\u7801\u86cb\u767d\u8d28\u8fdb\u5316\u53d1\u5c55\u7684\u8f93\u5165\u591a\u5e8f\u5217\u6bd4\u5bf9\u5e8f\u5217\u4e2d\u7684\u80fd\u91cf\u632b\u6298\u7279\u5f81\uff0c\u4ece\u800c\u4e3a\u86cb\u767d\u8d28\u8fd0\u52a8\u4ea7\u751f\u66ff\u4ee3\u7ed3\u6784\u548c\u9014\u5f84\u3002\u300d\u5171\u540c\u901a\u8baf\u4f5c\u8005\u3001\u83b1\u65af\u5927\u5b66\u7684 Peter Wolynes \u6559\u6388\u8bf4\u3002<\/p>\n

\u6b64\u5916\uff0c\u8fd8\u7814\u7a76\u4e86 AF2 \u7684\u5de5\u4f5c\u539f\u7406\uff0c\u8868\u660e\u5c06\u80fd\u91cf\u666f\u89c2\u7684\u7269\u7406\u77e5\u8bc6\u4e0e AI \u76f8\u7ed3\u5408\uff0c\u4e0d\u4ec5\u6709\u52a9\u4e8e\u9884\u6d4b\u86cb\u767d\u8d28\u7684\u8fd0\u52a8\u65b9\u5f0f\uff0c\u800c\u4e14\u8fd8\u89e3\u91ca\u4e86\u4e3a\u4ec0\u4e48 AI \u4f1a\u8fc7\u5ea6\u9884\u6d4b\u7ed3\u6784\u5b8c\u6574\u6027\uff0c\u4ece\u800c\u53ea\u4ea7\u751f\u6700\u7a33\u5b9a\u7684\u7ed3\u6784\u3002<\/p>\n

\u76f8\u5173\u7814\u7a76\u4ee5\u300cPredicting protein conformational motions using energetic frustration analysis and AlphaFold2<\/em>\u300d\u4e3a\u9898\uff0c\u53d1\u5e03\u5728\u300aPNAS<\/em>\u300b\u4e0a\u3002<\/p>\n

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

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.pnas.org\/doi\/10.1073\/pnas.2410662121<\/em><\/p>\n

\u86cb\u767d\u8d28\u7684\u5927\u89c4\u6a21\u6784\u8c61\u8fd0\u52a8\u5bf9\u8bb8\u591a\u751f\u7269\u8fc7\u7a0b\u81f3\u5173\u91cd\u8981\uff0c\u4f8b\u5982\u50ac\u5316\u3001\u4fe1\u53f7\u8f6c\u5bfc\u548c\u8fd0\u8f93\u3002\u5929\u7136\u86cb\u767d\u8d28\u7684\u5e8f\u5217\u5df2\u7ecf\u8fdb\u5316\u5f62\u6210\u72ec\u7279\u7684\u80fd\u91cf\u666f\u89c2\uff0c\u8fd9\u4e0d\u4ec5\u51b3\u5b9a\u4e86\u76f8\u5e94\u7684\u4e09\u7ef4\u5929\u7136\u7ed3\u6784\uff0c\u8fd8\u51b3\u5b9a\u4e86\u5b83\u4eec\u4e0e\u529f\u80fd\u76f8\u5173\u7684\u8fd0\u52a8\u3002<\/p>\n

AlphaFold2 (AF2) \u548c RoseTTAFold \u6210\u529f\u5730\u76f4\u63a5\u4ece\u5e8f\u5217\u751f\u6210\u7ed3\u6784\uff0c\u6b63\u662f\u901a\u8fc7\u5229\u7528\u8fdb\u5316\u6570\u636e\u624d\u5f97\u4ee5\u5b9e\u73b0\u3002<\/p>\n

\u80fd\u91cf\u666f\u89c2\u7406\u8bba\u8868\u660e\uff0c\u867d\u7136\u8fdb\u5316\u5851\u9020\u4e86\u86cb\u767d\u8d28\u7684\u80fd\u91cf\u666f\u89c2\uff0c\u4f7f\u5b83\u4eec\u53ef\u4ee5\u6298\u53e0\u6210\u6700\u4f73\u7ed3\u6784\uff0c\u4f46\u504f\u79bb\u539f\u672c\u5f15\u5bfc\u6298\u53e0\u7684\u5b8c\u7f8e\u6f0f\u6597\u666f\u89c2\uff0c\u5373\u5c40\u90e8\u632b\u6298\uff0c\u5bf9\u4e8e\u86cb\u767d\u8d28\u7684\u529f\u80fd\u8fd0\u52a8\u81f3\u5173\u91cd\u8981\u3002<\/p>\n

AF2 \u548c RoseTTAFold \u5728\u76f4\u63a5\u751f\u6210\u86cb\u767d\u8d28\u4e09\u7ef4\u7ed3\u6784\u65b9\u9762\u53d6\u5f97\u7684\u5de8\u5927\u6210\u529f\u542f\u53d1\u6211\u4eec\u601d\u8003\uff1a\u662f\u5426\u6709\u53ef\u80fd\u5c06\u8fd9\u79cd\u6570\u636e\u9a71\u52a8\u7684\u65b9\u6cd5\u4e0e\u73b0\u6709\u7684\u5173\u4e8e\u80fd\u91cf\u666f\u89c2\u7684\u7269\u7406\u601d\u60f3\u76f8\u7ed3\u5408\uff0c\u4ece\u800c\u76f4\u63a5\u9884\u6d4b\u5927\u89c4\u6a21\u86cb\u767d\u8d28\u6784\u8c61\u8fd0\u52a8\uff0c\u800c\u65e0\u9700\u8fdb\u884c\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\uff1f<\/p>\n

\u57fa\u4e8e\u6b64\uff0c\u5357\u4eac\u5927\u5b66\u7814\u7a76\u56e2\u961f\u5229\u7528 AF2 \u4f7f\u7528 MSA \u8fdb\u5316\u6570\u636e\u7684\u80fd\u529b\uff0c\u63d0\u51fa\u4e86\u4e00\u79cd\u5c06 AF2 \u7684\u7ed3\u6784\u9884\u6d4b\u80fd\u529b\u4e0e\u86cb\u767d\u8d28\u80fd\u91cf\u632b\u6298\u5206\u6790\u76f8\u7ed3\u5408\u4ee5\u9884\u6d4b\u86cb\u767d\u8d28\u6784\u8c61\u8fd0\u52a8\u7684\u65b9\u6cd5\u3002<\/p>\n

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

\u56fe\u793a\uff1aAF2 \u9884\u6d4b\u86cb\u767d\u8d28\u52a8\u529b\u5b66\u7684\u7269\u7406\u89c4\u5f8b\u793a\u610f\u56fe\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u632b\u6298\u6982\u5ff5\u5f3a\u8c03\u4e86\u51b2\u7a81\u76f8\u4e92\u4f5c\u7528\u5728\u86cb\u767d\u8d28\u6298\u53e0\u3001\u52a8\u529b\u5b66\u548c\u529f\u80fd\u4e2d\u7684\u4f5c\u7528\uff0c\u4e3a\u89e3\u9501 AF2 \u7684\u8fd9\u79cd\u66f4\u6df1\u5c42\u529f\u80fd\u63d0\u4f9b\u4e86\u5173\u952e\u3002\u901a\u8fc7\u5229\u7528\u57fa\u4e8e\u73b0\u6709\u751f\u7269\u7269\u7406\u5de5\u5177\u63d0\u53d6\u7684\u53d8\u6784\u86cb\u767d\u7684\u53ef\u7528\u80fd\u91cf\u632b\u6298\u6a21\u5f0f\uff0c\u7814\u7a76\u4eba\u5458\u65e8\u5728\u5c06 AF2 \u7684\u529f\u80fd\u6269\u5c55\u5230\u9759\u6001\u7ed3\u6784\u9884\u6d4b\u4e4b\u5916\uff0c\u5305\u62ec\u53d8\u6784\u86cb\u767d\u7684\u52a8\u529b\u5b66\uff0c\u4ece\u800c\u63d0\u9ad8\u79d1\u5b66\u5bb6\u5bf9\u57fa\u56e0\u578b-\u8868\u578b\u6620\u5c04\u7684\u7406\u89e3\u3002<\/p>\n

\u8fd9\u79cd\u7ed3\u5408 AF2 \u548c\u751f\u7269\u7269\u7406\u89c4\u5219\u7684\u8ba1\u7b97\u65b9\u6cd5\uff0c\u5c06\u6709\u52a9\u4e8e\u6df1\u5165\u7814\u7a76\u86cb\u767d\u8d28\u52a8\u529b\u5b66\u3002<\/p>\n

\u817a\u82f7\u9178\u6fc0\u9176 (AdK) \u662f\u4e00\u79cd\u591a\u7ed3\u6784\u57df\u86cb\u767d\uff0c\u7531 LID \u7ed3\u6784\u57df\u3001NMP \u7ed3\u6784\u57df\u548c\u6838\u5fc3\u7ed3\u6784\u57df\u7ec4\u6210\uff0c\u5df2\u6210\u4e3a\u7814\u7a76\u53d8\u6784\u7684\u5178\u578b\u7cfb\u7edf\u3002<\/p>\n

\u5728\u8be5\u7814\u7a76\u4e2d\uff0c\u540c\u6837\u4ee5 AdK \u4e3a\u6a21\u578b\uff0c\u5c55\u793a\u5982\u4f55\u5229\u7528\u7531\u5c40\u90e8\u80fd\u91cf\u632b\u6298\u5206\u6570\u91cf\u5316\u7684\u80fd\u91cf\u666f\u89c2\u5c40\u90e8\u7279\u5f81\uff0c\u9884\u6d4b AF2 \u7684\u86cb\u767d\u8d28\u6784\u8c61\u8fd0\u52a8\u3002<\/p>\n

\u7814\u7a76\u53d1\u73b0\u751f\u6210\u7684\u6784\u8c61\u8fd0\u52a8\u4e0e\u53ef\u7528\u7684\u5b9e\u9a8c\u548c\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u6570\u636e\u4e00\u81f4\u3002<\/p>\n

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

\u56fe\u793a\uff1aAdK \u7684\u5c40\u90e8\u80fd\u91cf\u632b\u6298\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u5c06\u8be5\u65b9\u6cd5\u5e94\u7528\u4e8e\u53e6\u5916\u4e24\u79cd\u6d89\u53ca\u5927\u5e45\u5ea6\u6784\u8c61\u53d8\u5316\u7684\u86cb\u767d\u8d28\u00a0KaiB\u00a0\u548c\u6838\u7cd6\u7ed3\u5408\u86cb\u767d\uff0c\u4e5f\u53ef\u4ee5\u6210\u529f\u751f\u6210\u66ff\u4ee3\u6784\u8c61\u3002<\/p>\n

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

\u56fe\u793a\uff1a\u4f7f\u7528\u632b\u6298\u8fc7\u6ee4\u7b56\u7565\u9884\u6d4b KaiB \u7684\u66ff\u4ee3\u7ed3\u6784\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u80fd\u91cf\u666f\u89c2\u7406\u8bba\u662f\u8fd9\u79cd\u65b9\u6cd5\u7684\u5173\u952e\u90e8\u5206\uff0c\u4f46\u76ee\u524d\u7684\u5927\u90e8\u5206 AI \u6a21\u578b\u88ab\u8bad\u7ec3\u6210\u53ea\u4f1a\u9884\u6d4b\u86cb\u767d\u8d28\u7684\u6700\u7a33\u5b9a\u7ed3\u6784\uff0c\u800c\u5ffd\u7565\u4e86\u86cb\u767d\u8d28\u5728\u53d1\u6325\u4f5c\u7528\u65f6\u53ef\u80fd\u5448\u73b0\u7684\u4e0d\u540c\u5f62\u72b6\u3002<\/p>\n

\u901a\u8fc7\u7cbe\u786e\u5b9a\u4f4d\u53d7\u632b\u533a\u57df\uff0c\u7814\u7a76\u4eba\u5458\u6559\u4f1a\u4e86 AI \u5728\u6307\u5bfc\u5176\u9884\u6d4b\u65f6\u5ffd\u7565\u8fd9\u4e9b\u533a\u57df\uff0c\u4ece\u800c\u4f7f\u4ee3\u7801\u80fd\u591f\u51c6\u786e\u9884\u6d4b\u66ff\u4ee3\u86cb\u767d\u8d28\u7ed3\u6784\u548c\u529f\u80fd\u8fd0\u52a8\u3002<\/p>\n

\u7814\u7a76\u4eba\u5458\u4f7f\u7528\u5728\u80fd\u91cf\u666f\u89c2\u6846\u67b6\u5185\u5f00\u53d1\u7684\u632b\u6298\u5206\u6790\u5de5\u5177\uff0c\u786e\u5b9a\u4e86\u86cb\u767d\u8d28\u4e2d\u53d7\u632b\uff0c\u4e14\u56e0\u6b64\u5177\u6709\u7075\u6d3b\u6027\u7684\u533a\u57df\u3002<\/p>\n

\u7136\u540e\uff0c\u901a\u8fc7\u64cd\u7eb5 AlphaFold \u4f7f\u7528\u7684\u5bf9\u9f50\u86cb\u767d\u8d28\u5bb6\u65cf\u5e8f\u5217\u4e2d\u7684\u8fdb\u5316\u4fe1\u606f\uff0c\u5e76\u6839\u636e\u632b\u6298\u5206\u6570\uff0c\u7814\u7a76\u4eba\u5458\u6559\u4f1a AI \u8bc6\u522b\u8fd9\u4e9b\u53d7\u632b\u533a\u57df\uff0c\u4ece\u800c\u80fd\u591f\u51c6\u786e\u9884\u6d4b\u5b83\u4eec\u4e4b\u95f4\u7684\u66ff\u4ee3\u7ed3\u6784\u548c\u9014\u5f84\uff0cWolynes \u8bf4\u3002<\/p>\n

\u300c\u5728\u540e AlphaFold \u65f6\u4ee3\uff0c\u4e0d\u8981\u5fd8\u8bb0\u6216\u653e\u5f03\u57fa\u4e8e\u7269\u7406\u7684\u65b9\u6cd5\u7684\u91cd\u8981\u6027\uff0c\u5728\u8fd9\u4e2a\u65f6\u4ee3\uff0c\u91cd\u70b9\u662f\u4ece\u5b9e\u9a8c\u6570\u636e\u4e2d\u8fdb\u884c\u4e0d\u53ef\u77e5\u8bba\u5b66\u4e60\uff0c\u800c\u65e0\u9700\u4efb\u4f55\u7406\u8bba\u8f93\u5165\uff0c\u300dWolynes \u8bf4\u3002\u300c\u5c06 AI \u4e0e\u751f\u7269\u7269\u7406\u5b66\u76f8\u7ed3\u5408\uff0c\u5c06\u5bf9\u672a\u6765\u7684\u5b9e\u9645\u5e94\u7528\u4ea7\u751f\u91cd\u5927\u5f71\u54cd\uff0c\u5305\u62ec\u836f\u7269\u8bbe\u8ba1\u3001\u9176\u5de5\u7a0b\u548c\u7406\u89e3\u75be\u75c5\u673a\u5236\u3002\u300d<\/p>\n

\u53c2\u8003\u5185\u5bb9\uff1ahttps:\/\/phys.org\/news\/2024-08-artificial-intelligence-frustration-protein.html<\/em><\/p>\n

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