{"id":41873,"date":"2023-04-18T19:08:59","date_gmt":"2023-04-18T11:08:59","guid":{"rendered":"https:\/\/swarma.org\/?p=41873"},"modified":"2023-04-18T19:08:59","modified_gmt":"2023-04-18T11:08:59","slug":"%e5%b7%b4%e6%8b%89%e5%b7%b4%e8%a5%bf%e6%96%b0%e4%bd%9c%ef%bc%9aai-bind-%e5%8a%a9%e5%8a%9b%e8%9b%8b%e7%99%bd%e8%b4%a8-%e9%85%8d%e4%bd%93%e7%bb%93%e5%90%88%e9%a2%84%e6%b5%8b","status":"publish","type":"post","link":"https:\/\/swarma.org\/?p=41873","title":{"rendered":"\u5df4\u62c9\u5df4\u897f\u65b0\u4f5c\uff1aAI-Bind \u52a9\u529b\u86cb\u767d\u8d28-\u914d\u4f53\u7ed3\u5408\u9884\u6d4b"},"content":{"rendered":"
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\u8bba\u6587\u9898\u76ee\uff1aImproving the generalizability of protein-ligand binding predictions with AI-Bind<\/span><\/section>\n
\u8bba\u6587\u6765\u6e90\uff1aNature Communications<\/em><\/span><\/section>\n
\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.nature.com\/articles\/s41467-023-37572-z<\/span><\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/blockquote>\n

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\u51c6\u786e\u9884\u6d4b\u5316\u5b66\u7269\u8d28\u548c\u86cb\u767d\u8d28\u4e4b\u95f4\u7684\u7ed3\u5408\u76f8\u4e92\u4f5c\u7528\u662f\u836f\u7269\u53d1\u73b0\u7684\u5173\u952e\u548c\u74f6\u9888\u3002\u73b0\u6709\u7684\u5206\u5b50\u52a8\u529b\u5b66<\/span>\uff08molecular dynamics\uff09<\/span>\u548c\u5206\u5b50\u5bf9\u63a5\u4eff\u771f<\/span>\uff08docking simulations\uff09<\/span>\u7b49\u65b9\u6cd5\u5e38\u7528\u6765\u9274\u5b9a\u6f5c\u5728\u7684\u86cb\u767d\u8d28\u914d\u4f53\u7ed3\u5408\uff0c\u4f46\u4eff\u771f\u6a21\u62df\u7684\u8ba1\u7b97\u590d\u6742\u5ea6\u4e25\u91cd\u9650\u5236\u4e86\u5927\u89c4\u6a21\u6d4b\u8bd5\u7684\u8986\u76d6\u8303\u56f4\u548c\u53ef\u884c\u6027\u3002\u56e0\u6b64\uff0c\u4e3a\u89c4\u907f\u73b0\u6709\u65b9\u6cd5\u7684\u8ba1\u7b97\u9650\u5236\uff0c\u6709\u5f88\u591a\u57fa\u4e8e\u673a\u5668\u5b66\u4e60\u548c\u4eba\u5de5\u667a\u80fd\u7684\u6a21\u578b\u88ab\u63d0\u51fa\u3002<\/span><\/section>\n
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\u5df4\u62c9\u5df4\u897f\u7b49\u4eba\u5728\u6700\u8fd1\u53d1\u8868\u4e8e Nature Communications<\/em> \u7684\u8fd9\u7bc7\u6587\u7ae0\u91cc\u8868\u660e\uff1a\u5373\u4f7f\u662f\u6700\u5148\u8fdb\u7684\u673a\u5668\u5b66\u4e60\u6a21\u578b\u4e5f\u65e0\u6cd5\u63a8\u5e7f\u5230\u65b0\u7ed3\u6784<\/span>\uff08\u4ece\u672a\u89c1\u8fc7\u7684\u7ed3\u6784\uff09<\/span>\u3002\u4ed6\u4eec\u63ed\u793a\u4e86\u9020\u6210\u8fd9\u4e00\u7f3a\u70b9\u7684\u673a\u5236\uff0c\u5c55\u793a\u4e86\u6a21\u578b\u5e76\u672a\u5b66\u4e60\u8282\u70b9\u7279\u5f81\uff0c\u800c\u662f\u4f9d\u8d56\u4e8e\u86cb\u767d\u8d28-\u914d\u4f53\u4e8c\u5206\u7f51\u7edc\u62d3\u6251\u7ed3\u6784\u7684\u6377\u5f84\u3002<\/span><\/section>\n
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\u4ed6\u4eec\u8fd8\u4ecb\u7ecd\u4e86AI-Bind\u2014\u2014\u4e00\u79cd\u57fa\u4e8e\u7f51\u7edc\u7684\u91c7\u6837\u7b56\u7565\u4e0e\u65e0\u76d1\u7763\u9884\u8bad\u7ec3\u76f8\u7ed3\u5408\u7684\u65b9\u6cd5\uff0c\u7528\u6765\u6539\u5584\u65b0\u7684\u86cb\u767d\u8d28-\u914d\u4f53\u7684\u7ed3\u5408\u9884\u6d4b\u3002\u4ed6\u4eec\u8fd8\u901a\u8fc7\u5206\u5b50\u5bf9\u63a5\u6a21\u62df\u548c\u6700\u8fd1\u7684\u5b9e\u9a8c\u8bc1\u636e\u8fdb\u884c\u6bd4\u8f83\uff0c\u9a8c\u8bc1\u4e86AI-Bind\u7684\u9884\u6d4b\uff0c\u5e76\u901a\u8fc7\u8bc6\u522b\u6c28\u57fa\u9178\u5e8f\u5217\u4e0a\u7684\u6f5c\u5728\u6d3b\u6027\u7ed3\u5408\u4f4d\u70b9\uff0c\u6765\u52a0\u5f3a\u89e3\u91ca\u86cb\u767d\u8d28-\u914d\u4f53\u7ed3\u5408\u7684\u673a\u5668\u5b66\u4e60\u9884\u6d4b\u7684\u8fc7\u7a0b\u3002AI-Bind \u662f\u4e00\u79cd\u8bc6\u522b\u836f\u7269-\u9776\u6807\u7ec4\u5408\u7684\u9ad8\u901a\u91cf\u65b9\u6cd5\uff0c\u6709\u671b\u6210\u4e3a\u836f\u7269\u53d1\u73b0\u4e2d\u7684\u5f3a\u5927\u5de5\u5177\u3002<\/span><\/section>\n

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\u56fe2. AI-Bind\u6d41\u7a0b\uff1aVecNet\u6027\u80fd\u548c\u9a8c\u8bc1\u3002<\/span><\/section>\n
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AI+Science \u8bfb\u4e66\u4f1a\u542f\u52a8<\/strong><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n


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\u4eba\u5de5\u667a\u80fd\u548c\u79d1\u5b66\u53d1\u73b0\u76f8\u4e92\u8d4b\u80fd\u7684\u65b0\u8303\u5f0f\uff1aAI+Science \u8bfb\u4e66\u4f1a\u542f\u52a8<\/a><\/span><\/span><\/section>\n

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\u63a8\u8350\u9605\u8bfb<\/span><\/strong><\/strong><\/p>\n

1. <\/strong>\u5df4\u62c9\u5df4\u897f Nature \u520a\u6587\uff1a\u4eba\u7c7b\u57fa\u56e0\u7ec4\u8ba1\u521220\u5e74\uff0c \u660e\u661f\u57fa\u56e0\u5927\u653e\u5f02\u5f69\uff0c\u751f\u7269\u7f51\u7edc\u4e9f\u5f85\u63a2\u7d22<\/a><\/strong><\/span><\/strong><\/strong><\/section>\n
2.<\/strong> \u5df4\u62c9\u5df4\u897f\u7ec4 Nature Physics \u520a\u6587\uff0c\u53d1\u73b0\u7f51\u7edc\u6298\u53e0\u4e0e\u5f39\u6027\u80fd\u91cf\u7684\u7ebf\u6027\u5173\u7cfb<\/a><\/strong><\/span><\/strong><\/section>\n
3. <\/strong><\/strong>\u739b\u4e3d\u5973\u738b\u5927\u5b66 Ginestra Bianconi\uff1a\u9ad8\u9636\u7f51\u7edc\u7684\u62d3\u6251\u7ed3\u6784\u4e0e\u52a8\u529b\u5b66<\/a><\/strong><\/strong><\/span><\/strong><\/strong><\/section>\n
4. \u300a\u5f20\u6c5f\u00b7\u590d\u6742\u79d1\u5b66\u524d\u6cbf27\u8bb2\u300b\u5b8c\u6574\u4e0a\u7ebf\uff01<\/strong><\/a><\/strong><\/strong><\/strong><\/section>\n
5. \u6210\u4e3a\u96c6\u667aVIP\uff0c\u89e3\u9501\u5168\u7ad9\u8bfe\u7a0b\uff0f\u8bfb\u4e66\u4f1a<\/span><\/strong><\/a><\/strong><\/strong><\/strong><\/strong><\/section>\n
6.<\/strong><\/strong><\/strong> <\/strong><\/strong><\/strong>\u52a0\u5165\u96c6\u667a\uff0c\u4e00\u8d77\u590d\u6742\uff01<\/strong><\/a><\/strong><\/strong><\/strong><\/span><\/section>\n

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

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\u5173\u952e\u8bcd\uff1a\u836f\u7269\u53d1\u73b0\uff0c\u673a\u5668\u5b66\u4e60\uff0c\u7f51\u7edc\u62d3\u6251\uff0c\u86cb\u767d\u8d28-\u914d\u4f53\u4e8c\u5206\u7f51\u7edc \u8bba\u6587\u9898\u76ee\uff1aImproving the generalizability of protein-ligand binding predictions with AI-Bind \u8bba\u6587\u6765\u6e90\uff1aNature Communications \u8bba\u6587\u94fe\u63a5\uff1ah…<\/p>\n","protected":false},"author":0,"featured_media":41867,"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\/41873"}],"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=41873"}],"version-history":[{"count":0,"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/posts\/41873\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/media\/41867"}],"wp:attachment":[{"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=41873"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=41873"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=41873"},{"taxonomy":"special","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fspecial&post=41873"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}