{"id":34400,"date":"2024-12-05T20:56:22","date_gmt":"2024-12-05T12:56:22","guid":{"rendered":"https:\/\/17aitech.com\/?p=34400"},"modified":"2024-12-05T20:56:22","modified_gmt":"2024-12-05T12:56:22","slug":"%e4%bb%85%e5%87%a0%e7%a7%92%ef%bc%8c%e5%87%86%e7%a1%ae%e6%8e%a8%e6%96%ad%e8%9b%8b%e7%99%bd%e5%8a%a8%e5%8a%9b%e5%ad%a6%e4%bf%a1%e6%81%af%ef%bc%8c%e5%b1%b1%e5%a4%a7%e3%80%81%e5%8c%97%e7%90%86%e5%b7%a5","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=34400","title":{"rendered":"\u4ec5\u51e0\u79d2\uff0c\u51c6\u786e\u63a8\u65ad\u86cb\u767d\u52a8\u529b\u5b66\u4fe1\u606f\uff0c\u5c71\u5927\u3001\u5317\u7406\u5de5\u7b49AI\u6a21\u578bRMSF-net\u767bNature\u5b50\u520a"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:\u4ec5\u51e0\u79d2\uff0c\u51c6\u786e\u63a8\u65ad\u86cb\u767d\u52a8\u529b\u5b66\u4fe1\u606f\uff0c\u5c71\u5927\u3001\u5317\u7406\u5de5\u7b49AI\u6a21\u578bRMSF-net\u767bNature\u5b50\u520a<\/a><\/p>\n

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

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

\u86cb\u767d\u8d28\u7684\u52a8\u529b\u5b66\u5bf9\u4e8e\u7406\u89e3\u5176\u673a\u5236\u81f3\u5173\u91cd\u8981\u3002\u7136\u800c\uff0c\u901a\u8fc7\u8ba1\u7b97\u9884\u6d4b\u86cb\u767d\u8d28\u52a8\u5b66\u4fe1\u606f\u5177\u6709\u6311\u6218\u6027\u3002<\/p>\n

\u5728\u6b64\uff0c\u6765\u81ea\u5c71\u4e1c\u5927\u5b66\u3001\u767e\u56fe\u751f\u79d1\uff08BioMap\uff09\u3001\u5317\u4eac\u7406\u5de5\u5927\u5b66\u3001\u6e56\u5317\u533b\u836f\u5b66\u9662\u3001\u5b81\u590f\u533b\u79d1\u5927\u5b66\u548c\u963f\u535c\u675c\u62c9\u56fd\u738b\u79d1\u6280\u5927\u5b66\uff08KAUST\uff09\u7684\u7814\u7a76\u56e2\u961f\uff0c\u63d0\u51fa\u4e86\u4e00\u4e2a\u795e\u7ecf\u7f51\u7edc\u6a21\u578b RMSF-net\uff0c\u5176\u4f18\u4e8e\u4ee5\u524d\u7684\u65b9\u6cd5\uff0c\u5e76\u5728\u5927\u89c4\u6a21\u86cb\u767d\u8d28\u52a8\u529b\u5b66\u6570\u636e\u96c6\u4e2d\u4ea7\u751f\u6700\u4f73\u7ed3\u679c\uff1b\u8be5\u6a21\u578b\u53ef\u4ee5\u5728\u51e0\u79d2\u949f\u5185\u51c6\u786e\u63a8\u65ad\u51fa\u86cb\u767d\u8d28\u7684\u52a8\u529b\u5b66\u4fe1\u606f\u3002<\/p>\n

\u901a\u8fc7\u4ece\u5b9e\u9a8c\u86cb\u767d\u8d28\u7ed3\u6784\u6570\u636e\u548c\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c (cryo-EM) \u6570\u636e\u96c6\u6210\u4e2d\u6709\u6548\u5730\u5b66\u4e60\uff0c\u8be5\u65b9\u6cd5\u80fd\u591f\u51c6\u786e\u8bc6\u522b\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u56fe\u548c PDB \u6a21\u578b\u4e4b\u95f4\u7684\u4ea4\u4e92\u5f0f\u53cc\u5411\u7ea6\u675f\u548c\u76d1\u7763\uff0c\u4ee5\u6700\u5927\u9650\u5ea6\u5730\u63d0\u9ad8\u52a8\u529b\u5b66\u9884\u6d4b\u6548\u7387\u3002<\/p>\n

RMSF-net \u662f\u4e00\u4e2a\u53ef\u514d\u8d39\u4f7f\u7528\u7684\u5de5\u5177\uff0c\u5c06\u5728\u86cb\u767d\u8d28\u52a8\u529b\u5b66\u7814\u7a76\u4e2d\u53d1\u6325\u91cd\u8981\u4f5c\u7528\u3002<\/p>\n

\u8be5\u7814\u7a76\u4ee5\u300cAccurate Prediction of Protein Structural Flexibility by Deep Learning Integrating Intricate Atomic Structures and Cryo-EM Density Information<\/em>\u300d\u4e3a\u9898\uff0c\u4e8e 7 \u6708 2 \u65e5\u53d1\u5e03\u5728\u300aNature Communications<\/em>\u300b\u4e0a\u3002<\/p>\n

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

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.nature.com\/articles\/s41467-024-49858-x<\/em><\/p>\n

RMSF-net\u00a0github \u5730\u5740\uff1ahttps:\/\/github.com\/XintSong\/RMSF-net<\/em><\/p>\n

\u86cb\u767d\u8d28\u7684\u52a8\u529b\u5b66\u5bf9\u4e8e\u7406\u89e3\u5176\u673a\u5236\u8d77\u7740\u81f3\u5173\u91cd\u8981\u7684\u4f5c\u7528\u3002\u76ee\u524d\uff0c\u5927\u591a\u6570\u86cb\u767d\u8d28\u662f\u901a\u8fc7\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\uff08cryo-EM\uff09\u6280\u672f\u6765\u89e3\u51b3\u7684\uff0c\u5176\u4e2d\u5927\u5206\u5b50\u7ed3\u6784\u7531 3D \u5bc6\u5ea6\u56fe\u8868\u793a\u3002<\/p>\n

\u7531\u4e8e\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u5206\u6790\u4e2d\u539f\u59cb\u4e8c\u7ef4\u7c92\u5b50\u56fe\u50cf\u7684\u5206\u8fa8\u7387\u548c\u4fe1\u566a\u6bd4\u8f83\u4f4e\uff0c\u5728\u91cd\u5efa\u8fc7\u7a0b\u4e2d\u65e0\u6cd5\u5206\u8fa8\u51fa\u5fae\u5c0f\u7684\u6784\u8c61\u53d8\u5316\u3002<\/p>\n

\u6df1\u5ea6\u5b66\u4e60\u65b9\u6cd5\u5df2\u5e7f\u6cdb\u5e94\u7528\u4e8e\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u56fe\u7684\u81ea\u52a8\u5206\u6790\u3002\u76ee\u524d\uff0c\u7ed9\u5b9a\u4e00\u4e2a\u9ad8\u5206\u8fa8\u7387\u7684\u4f4e\u6e29\u7535\u955c\u56fe\u8c31\uff0c\u4ece\u4f4e\u6e29\u7535\u955c\u56fe\u8c31\u7cbe\u786e\u6784\u5efa\u4e00\u4e2a\u86cb\u767d\u8d28\u6570\u636e\u5e93\uff08Protein Data Bank\uff0cPDB\uff09\u6a21\u578b\u6a21\u578b\u5e76\u4e0d\u56f0\u96be\u3002\u7136\u800c\uff0c\u8fd9\u4e9b\u6784\u5efa\u7684 PDB \u6a21\u578b\u6ca1\u6709\u8003\u8651\u52a8\u529b\u5b66\u4fe1\u606f\uff0c\u800c\u4ece PDB \u6a21\u578b\u8ba1\u7b97\u52a8\u529b\u5b66\u4fe1\u606f\u4ecd\u7136\u662f\u4e00\u9879\u56f0\u96be\u7684\u5206\u5b50\u52a8\u529b\u5b66\uff08MD\uff09\u6a21\u62df\u4efb\u52a1\uff0c\u901a\u5e38\u9700\u8981\u5927\u91cf\u7684\u8ba1\u7b97\u8d44\u6e90\u548c\u65f6\u95f4\u3002<\/p>\n

RMSF-net \u6982\u8ff0<\/strong><\/p>\n

\u8be5\u7814\u7a76\u56e2\u961f\u63d0\u51fa\u4e86\u4e00\u79cd\u7528\u4e8e\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u5bc6\u5ea6\u56fe\u7684\u795e\u7ecf\u7f51\u7edc\u6a21\u578b RMSF-net\uff0c\u8be5\u6a21\u578b\u5145\u5206\u5229\u7528\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u5bc6\u5ea6\u548c PDB \u6a21\u578b\u4fe1\u606f\uff0c\u53ef\u4ee5\u5728\u51e0\u79d2\u949f\u5185\u51c6\u786e\u63a8\u65ad\u51fa\u86cb\u767d\u8d28\u7684\u52a8\u529b\u5b66\u4fe1\u606f\u3002<\/p>\n

RMSF \u662f\u4e00\u79cd\u5e7f\u6cdb\u4f7f\u7528\u7684\u6d4b\u91cf\u65b9\u6cd5\uff0c\u7528\u4e8e\u8bc4\u4f30 MD \u5206\u6790\u4e2d\u5206\u5b50\u7ed3\u6784\u7684\u7075\u6d3b\u6027\u3002\u8be5\u65b9\u6cd5\u7684\u4e3b\u8981\u76ee\u7684\u662f\u9884\u6d4b\u86cb\u767d\u8d28\u5185\u5c40\u90e8\u7ed3\u6784\uff08\u6b8b\u57fa\u3001\u539f\u5b50\uff09\u7684 RMSF\u3002<\/p>\n

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

\u56fe\u793a\uff1aRMSF-net\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u9664\u4e86\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u56fe\u4e4b\u5916\uff0cRMSF-net \u8fd8\u5229\u7528 PDB \u6a21\u578b\u4f5c\u4e3a\u989d\u5916\u8f93\u5165\uff0c\u6765\u4ea7\u751f\u975e\u5e38\u63a5\u8fd1 MD \u6a21\u62df\u7ed3\u679c\u7684 RMSF \u9884\u6d4b\u3002<\/p>\n

RMSF-net \u662f\u4e00\u4e2a\u4e09\u7ef4\u5377\u79ef\u795e\u7ecf\u7f51\u7edc\uff0c\u5305\u542b\u4e24\u4e2a\u76f8\u4e92\u8fde\u63a5\u7684\u6a21\u5757\u3002\u4e3b\u6a21\u5757\u91c7\u7528 Unet\u2009+\u2009+(L3) \u67b6\u6784\u5bf9\u8f93\u5165\u5bc6\u5ea6\u6846\u8fdb\u884c\u7279\u5f81\u7f16\u7801\u548c\u89e3\u7801\u3002\u53e6\u4e00\u4e2a\u6a21\u5757\u5229\u7528 1 \u6838\u5377\u79ef\u5bf9 Unet\u2009+\u2009+ \u4e3b\u5e72\u751f\u6210\u7684\u7279\u5f81\u56fe\u7684\u901a\u9053\u8fdb\u884c\u56de\u5f52\u3002\u7136\u540e\u5c06\u4e2d\u5fc3\u88c1\u526a\u5e94\u7528\u4e8e\u56de\u5f52\u6a21\u5757\u8f93\u51fa\u4ee5\u83b7\u5f97\u4e2d\u5fc3 RMSF \u5b50\u6846\uff0c\u5176\u4e2d\u4f53\u7d20\uff08voxel\uff09\u503c\u5bf9\u5e94\u4e8e\u5176\u4e2d\u5305\u542b\u7684\u539f\u5b50\u7684 RMSF\u3002\u6700\u540e\uff0c\u4f7f\u7528\u5408\u5e76\u7b97\u6cd5\u5c06 RMSF \u5b50\u6846\u5728\u7a7a\u95f4\u4e0a\u5408\u5e76\u4e3a RMSF \u56fe\u3002<\/p>\n

\u6b64\u5916\uff0c\u7814\u7a76\u4eba\u5458\u8fd8\u6784\u5efa\u4e86\u4e00\u4e2a\u5927\u89c4\u6a21\u86cb\u767d\u8d28\u52a8\u529b\u5b66\u6570\u636e\u96c6\u7528\u4e8e RMSF-net \u7684\u8bad\u7ec3\u548c\u9a8c\u8bc1\uff0c\u5176\u4e2d\u9009\u62e9\u4e86 335 \u4e2a\u5177\u6709\u62df\u5408 PDB \u6a21\u578b\u7684\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u7ed3\u6784\u6761\u76ee\u5e76\u6267\u884c\u76f8\u5e94\u7684 MD \u6a21\u62df\u3002\u7efc\u5408\u5b9e\u9a8c\u7ed3\u679c\u8bc1\u660e\u4e86 RMSF-net \u7684\u6548\u7387\u548c\u6709\u6548\u6027\u3002<\/p>\n

\u8868\uff1a\u4e0d\u540c RMSF \u9884\u6d4b\u65b9\u6cd5\u5728\u6570\u636e\u96c6\u4e0a\u7684\u8868\u73b0\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

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

\u7279\u522b\u662f\uff0cRMSF-net \u901a\u8fc7\u4e25\u683c\u7684 5 \u500d\u4ea4\u53c9\u9a8c\u8bc1\u5728\u6d4b\u8bd5\u96c6\u4e0a\u8868\u73b0\u51fa\u8272\uff0c\u4e0e MD \u6a21\u62df\u7ed3\u679c\u7684\u76f8\u5173\u7cfb\u6570\u8fbe\u5230 0.746\u00b10.127\uff0c\u6bd4 DEFMap \u63d0\u9ad8\u4e86 15%\uff0c\u6bd4\u57fa\u7ebf\u63d0\u9ad8\u4e86 10%\u3002<\/p>\n

\u52a8\u529b\u5b66\u9884\u6d4b\u7684\u53ef\u89e3\u91ca\u6027<\/strong><\/p>\n

\u63a5\u4e0b\u6765\uff0c\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u5bf9\u6bd4\u5b9e\u9a8c\u8fdb\u4e00\u6b65\u589e\u5f3a\u4e86 RMSF-net \u52a8\u529b\u5b66\u9884\u6d4b\u7684\u53ef\u89e3\u91ca\u6027\u3002\u901a\u8fc7\u5c06\u4ec5\u57fa\u4e8e\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u56fe\u8c31\u7684 RMSF \u9884\u6d4b\u8fc7\u7a0b\u5206\u4e3a\u4e24\u4e2a\u6b65\u9aa4\uff08Occ2RMSF-net\uff09\uff1a\uff081\uff09\u7ed3\u6784\u4fe1\u606f\u63d0\u53d6\uff1b\uff082\uff09\u57fa\u4e8e\u63d0\u53d6\u7684\u7ed3\u6784\u4fe1\u606f\u8fdb\u884c\u52a8\u529b\u5b66\u9884\u6d4b\u3002<\/p>\n

\u7814\u7a76\u8bc1\u660e\u4e86\u57fa\u4e8e\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u56fe\u8c31\u7684\u6a21\u578b\uff08\u5982 DEFMap \u6216 RMSF-net_cryo\uff09\u7684\u52a8\u529b\u5b66\u9884\u6d4b\u4e3b\u8981\u901a\u8fc7\u89e3\u8bfb\u86cb\u767d\u8d28\u7ed3\u6784\u6765\u5b9e\u73b0\u3002\u8fd9\u51f8\u663e\u4e86\u86cb\u767d\u8d28\u62d3\u6251\u7ed3\u6784\u4e0e\u52a8\u529b\u5b66\u4e4b\u95f4\u7684\u8054\u7cfb\uff0c\u7b26\u5408\u7ed3\u6784-\u529f\u80fd\u5173\u7cfb\u7684\u7b2c\u4e00\u539f\u7406\u3002<\/p>\n

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

\u56fe\u793a\uff1aRMSF-net \u4e0e\u5176\u4ed6\u76f8\u5173\u65b9\u6cd5\u7684\u6027\u80fd\u6bd4\u8f83\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u6b64\u5916\uff0c\u901a\u8fc7\u5bf9 RMSF-net_cryo\u3001RMSF-net_pdb \u548c\u6700\u7ec8\u7684\u53cc\u7ec4\u5408 RMSF-net \u8fdb\u884c\u5168\u9762\u6bd4\u8f83\uff0c\u8bc1\u660e\u4e86\uff1a\u4e00\u65b9\u9762\uff0c\u6765\u81ea PDB \u6a21\u578b\u7684\u7ed3\u6784\u4fe1\u606f\u5728 RMSF-net \u4e2d\u8d77\u4e3b\u8981\u4f5c\u7528\uff0c\u5176\u4e2d\u6df1\u5ea6\u6a21\u578b\u4ece MD \u6a21\u62df\u4e2d\u5b66\u4e60\u7ed3\u6784\u62d3\u6251\u548c\u7075\u6d3b\u6027\u4e4b\u95f4\u7684\u6a21\u5f0f\uff0c\u53e6\u4e00\u65b9\u9762\uff0c\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u56fe\u8c31\u5f02\u8d28\u5bc6\u5ea6\u5206\u5e03\u4e2d\u5305\u542b\u7684\u52a8\u529b\u5b66\u4fe1\u606f\u8fdb\u4e00\u6b65\u589e\u5f3a\u4e86\u6a21\u578b\u3002\u8fd9\u4e9b\u7ed3\u679c\u9a8c\u8bc1\u4e86\u4f4e\u6e29\u7535\u5b50\u663e\u5fae\u955c\u56fe\u548c PDB \u6a21\u578b\u7684\u4fe1\u606f\u5bf9 RMSF-net \u4e2d\u7684\u86cb\u767d\u8d28\u52a8\u529b\u5b66\u9884\u6d4b\u7684\u4e92\u8865\u4f5c\u7528\u3002<\/p>\n

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