{"id":24493,"date":"2021-03-14T22:38:00","date_gmt":"2021-03-14T14:38:00","guid":{"rendered":"https:\/\/swarma.org\/?p=24493"},"modified":"2021-03-14T22:38:00","modified_gmt":"2021-03-14T14:38:00","slug":"%e7%94%a8%e8%ae%a1%e7%ae%97%e6%9c%ba%e7%9c%9f%e6%ad%a3%e6%a8%a1%e6%8b%9f%e7%94%9f%e5%91%bd%e8%bf%98%e8%a6%81%e5%a4%9a%e4%b9%85","status":"publish","type":"post","link":"https:\/\/swarma.org\/?p=24493","title":{"rendered":"\u7528\u8ba1\u7b97\u673a\u771f\u6b63\u6a21\u62df\u751f\u547d\u8fd8\u8981\u591a\u4e45"},"content":{"rendered":"
<\/p>\n


\u5bfc\u8bed<\/p>\n

\u5f53\u524d\u5728\u8ba1\u7b97\u79d1\u5b66\u3001\u8ba1\u7b97\u673a\u786c\u4ef6\u548c\u751f\u547d\u79d1\u5b66\u65b9\u9762\u65e0\u6cd5\u9884\u6599\u7684\u7a81\u7834\u53ef\u80fd\u4f1a\u4f7f\u6211\u4eec\u671d\u7740\u76ee\u6807\u8fc8\u8fdb\u8ba1\u7b97\u673a\u6a21\u62df\u751f\u7269\u5b66\u7684\u901f\u5ea6\u66f4\u5feb\u3002
Roland R. Netz\u3001William A. Eaton | \u4f5c\u8005\u8d75\u96e8\u4ead | \u8bd1\u8005\u5218\u57f9\u6e90 | \u5ba1\u6821
\u9093\u4e00\u96ea | \u7f16\u8f91<\/p>\n

 
\u8bba\u6587\u9898\u76ee\uff1a
Estimating computational limits on theoretical descriptions of biological cells\u8bba\u6587\u5730\u5740\uff1ahttps:\/\/www.pnas.org\/content\/118\/6\/e2022753118<\/p>\n

\u57c3\u5c14\u6e29\u00b7\u859b\u5b9a\u8c14\u5728\u4ed61944\u5e74\u7684\u8457\u4f5c\u300a\u751f\u547d\u662f\u4ec0\u4e48\uff1f\u300b[1]\u4e2d\u95ee\u9053\uff1a\u201c\u5982\u4f55\u4f7f\u7528\u7269\u7406\u517c\u5316\u5b66\u65b9\u6cd5\u6765\u89e3\u91ca\u5728\u4e00\u4e2a\u6d3b\u7684\u6709\u673a\u4f53\u5728\u81ea\u5df1\u7684\u7a7a\u95f4\u8fb9\u754c\u5185\u53d1\u751f\u7684\u65f6\u7a7a\u4e8b\u4ef6\uff1f\u201d\u5728\u968f\u540e\u7684\u8fd180\u5e74\u4e2d\uff0c\u79d1\u7814\u4eba\u5458\u5df2\u7ecf\u63a2\u7d22\u4e86\u8bb8\u591a\u6709\u5173\u4e9a\u7ec6\u80de\u73b0\u8c61\u7684\u3001\u66f4\u6df1\u5c42\u673a\u7406\u7684\u6210\u679c\u3002\u867d\u7136\u5982\u6b64\uff0c\u4ee5\u7b2c\u4e00\u539f\u7406\u5bf9\u751f\u6d3b\u4e2d\u7684\u751f\u547d\u4f53\u8fdb\u884c\u8ba1\u7b97\u673a\u6a21\u62df\u4ecd\u7136\u662f\u4e00\u4e2a\u9065\u4e0d\u53ef\u53ca\u7684\u76ee\u6807\u3002 \u5728\u6700\u8fd1\u4e00\u7bc7\u53d1\u8868\u4e8e\u7f8e\u56fd\u56fd\u5bb6\u79d1\u5b66\u9662\u9662\u520a PNAS \u7684\u6587\u7ae0\u4e2d[2]\uff0cNetz \u4e0e Eaton \u9884\u6d4b\u4e86\u8fd9\u79cd\u6a21\u62df\u53d8\u4e3a\u73b0\u5b9e\u6240\u9700\u7684\u65f6\u95f4\u3002\u4ed6\u4eec\u8fdb\u4e00\u6b65\u5c06\u5176\u4f30\u8ba1\u6269\u5c55\u5230\u66f4\u5927\u7684\u751f\u7269\u7cfb\u7edf\uff0c\u5e76\u8ba8\u8bba\u662f\u5426\u4ee5\u53ca\u4f55\u65f6\u6709\u53ef\u80fd\u6a21\u62df\u8bf8\u5982\u4eba\u8111\u4e4b\u7c7b\u7684\u591a\u7ec6\u80de\u5b9e\u4f53\u3002  <\/p>\n


1. \u7528\u8ba1\u7b97\u673a\u6a21\u62df\u751f\u547d\u8fc7\u7a0b<\/p>\n

\u5728\u4e00\u4e2a\u751f\u7269\u5b66\u4e0a\u6709\u610f\u4e49\u7684\u65f6\u95f4\u95f4\u9694\u5185\uff08\u4f8b\u5982\u4e00\u4e2a\u5c0f\u65f6\u3001\u4e00\u6b21\u7ec6\u80de\u5206\u88c2\u65f6\u95f4\uff09\uff0c\u6a21\u62df\u7ec6\u80de\u5927\u5c0f\u7684\u5206\u5b50\u88c5\u914d\u4f3c\u4e4e\u662f\u4e00\u9879\u8270\u5de8\u7684\u4efb\u52a1\u3002\u7684\u786e\uff0c\u73b0\u4ee3\u5206\u5b50\u6a21\u62df\u9886\u57df\u7684\u80dc\u5229\u4e4b\u4e00\u5c31\u662f\u89c2\u5bdf\u5230\u4e86\u86cb\u767d\u8d28\u7684\u53ef\u9006\u8001\u5316\u2014\u2014\u8fd9\u79cd\u8001\u5316\u53d1\u751f\u5728\u5fae\u79d2\u7ea7[3]\u3002\u76f8\u6bd4\u4e4b\u4e0b\uff0c\u5355\u4e2a\u7ec6\u80de\u6bcf\u5c0f\u65f6\u53ef\u4ee5\u5408\u6210\u6570\u5343\u6216\u6570\u767e\u4e07\u4e2a\u86cb\u767d\u8d28\uff0c\u5176\u4e2d\u8bb8\u591a\u86cb\u767d\u8d28\u53ef\u80fd\u9700\u8981\u6570\u79d2\u6216\u6570\u5206\u949f\u624d\u80fd\u6298\u53e0\uff0c\u5e76\u4e14\u53ea\u6709\u5728\u7ec6\u80de\u673a\u68b0\uff08cellular machinery\uff09\u7684\u5e2e\u52a9\u4e0b\u624d\u80fd\u5b8c\u6210\u3002 \u5728\u6700\u65b0\u7684\u79d1\u7814\u5c1d\u8bd5\u4e2d[4]\uff0c\u7814\u7a76\u8005\u6a21\u62df\u4e86\u7ec6\u80de\u8d28\u4e2d\uff0c\u76f8\u5bf9\u8f83\u5927\u7684100 nm\u00d7100 nm\u00d7100 nm\u4e9a\u7a7a\u95f4\u3002\u4f46\u662f\uff0c\u8be5\u7814\u7a76\u4e2d\u83b7\u5f97\u7684\u6570\u5341\u7eb3\u79d2\u7684\u65f6\u95f4\u5c3a\u5ea6\u5374\u975e\u5e38\u77ed\uff0c\u6bd4\u6240\u9700\u76841\u5c0f\u65f6\u77ed\u4e8610\u4e2a\u6570\u91cf\u7ea7\uff01\u4f46\u662f\uff0c\u5982\u679c\u6309\u7167\u6469\u5c14\u5b9a\u5f8b\u7684\u9884\u6d4b\uff0c\u8ba1\u7b97\u80fd\u529b\u7ee7\u7eed\u5448\u6307\u6570\u589e\u957f\uff0c\u90a3\u4e48\u5f25\u5408\u8fd9\u79cd\u65f6\u95f4\u5c3a\u5ea6\u4e0a\u7684\u5dee\u8ddd\u4f3c\u4e4e\u5e76\u975e\u9065\u4e0d\u53ef\u53ca\u3002
\u56fe1. \u6469\u5c14\u5b9a\u5f8b\u8ba4\u4e3a\u96c6\u6210\u7535\u8def\u53ef\u5bb9\u7eb3\u7684\u6676\u4f53\u7ba1\u6570\u91cf\uff0c\u6bcf\u9694\u7ea618\u4e2a\u6708\u7ffb\u500d\uff0c\u4ee3\u8868\u7740\u5bf9\u8ba1\u7b97\u80fd\u529b\u6307\u6570\u589e\u957f\u7684\u89c2\u6d4b\u548c\u9884\u671f\u3002\u4f46\u968f\u7740\u82af\u7247\u7ec4\u9010\u6e10\u63a5\u8fd1\u5355\u4e2a\u539f\u5b50\u5c3a\u5ea6\uff0c\u6469\u5c14\u5b9a\u5f8b\u53ef\u80fd\u4f1a\u5931\u6548\u3002<\/p>\n

\u7684\u786e\uff0c\u5982\u679c\u8ba1\u7b97\u673a\u901f\u5ea6\u6bcf 1.5 \u5e74\u7ffb\u4e00\u756a\uff0c\u5219\u5e94\u8be5\u6709\u53ef\u80fd\u572850\u5e74[5]\u5185\u8fbe\u5230\u6240\u9700\u7684\u65f6\u95f4\u8303\u56f4\u3002\u67d0\u4e9b\u4e3a\u52a0\u901f\u5206\u5b50\u6a21\u62df\u800c\u5f00\u53d1\u7684\u65b9\u6cd5\u53ef\u80fd\u4f1a\u63d0\u4f9b\u8fdb\u4e00\u6b65\u7684\u5e2e\u52a9\u3002\u4f8b\u5982\uff0c\u53ef\u4ee5\u5c1d\u8bd5\u63d0\u9ad8\u4eff\u771f\u6e29\u5ea6\u4ee5\u52a0\u5feb\u52a8\u529b\u5b66\u901f\u5ea6\u3002\u5c3d\u7ba1\u8fd9\u79cd\u7b80\u5355\u7684\u52a0\u901f\u52a8\u529b\u5b66\u7684\u65b9\u6cd5\u5b58\u5728\u95ee\u9898\u2014\u2014\u6bd4\u5982\u6211\u4eec\u65e0\u6cd5\u901a\u8fc7\u5c06\u8461\u8404\u9152\u5728\u4e0d\u7834\u574f\u8d28\u91cf\u7684\u524d\u63d0\u4e0b\u5347\u6e29\u6765\u52a0\u901f\u8001\u5316\u2014\u2014\u4f46\u8be5\u601d\u8def\u4ecd\u7136\u5177\u6709\u542f\u53d1\u3002 \u7136\u800c\uff0c\u5b58\u5728\u4e00\u4e2a\u5173\u952e\u95ee\u9898\uff1a\u5206\u5b50\u52a8\u529b\u5b66\uff08Molecular dynamics\uff0cMD\uff09\u4f5c\u4e3a\u6807\u51c6\u5728\u539f\u5b50\u7ea7\u4e0a\u5bf9\u751f\u7269\u5206\u5b50\u73b0\u8c61\u8fdb\u884c\u5efa\u6a21\u7684\u65b9\u6cd5\u5e76\u4e0d\u662f\u771f\u6b63\u7684\u7b2c\u4e00\u624b\u65b9\u6cd5\uff1a\u8981\u6839\u636e\u7b2c\u4e00\u6027\u539f\u7406\u65b9\u6cd5\uff08first-principles method\uff09\u9884\u6d4b\u5206\u5b50\u95f4\u4e0e\u5206\u5b50\u95f4\u76f8\u4e92\u4f5c\u7528\uff0c\u5fc5\u987b\u4e3a\u7535\u5b50\u548c\u539f\u5b50\u6838\u6c42\u89e3\u91cf\u5b50\u859b\u5b9a\u8c14\u65b9\u7a0b\uff08Schr\u00f6dinger equation\uff09\u2014\u2014\u8fd9\u9700\u8981\u5de8\u5927\u7b97\u529b\u3002  <\/p>\n

2. \u7b80\u5316\u6a21\u62df\u964d\u4f4e\u7b97\u529b<\/p>\n

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3. \u65b0\u7684\u4f4e\u6210\u672c\u6a21\u62df\u65b9\u6cd5<\/p>\n

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\u53c2\u8003\u6587\u732e<\/p>\n

1. E. Schro\u0308dinger, What is Life? The Physical Aspect of the Living Cell (Cambridge University Press, 1944).2. R. R. Netz, W. A. Eaton, Estimating computational limits on theoretical descriptions of biological cells. Proc. Natl. Acad. Sci. U.S.A., 10.1073\/pnas.2022753118 (2021).3. K. Lindorff-Larsen, S. Piana, R. O. Dror, D. E. Shaw, How fast-folding proteins fold. Science 334, 517\u2013520 (2011).4. I. Yu et al., Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm. eLife 5, e19274 (2016).5. G. Henkelman, H. Jo \u0301 nsson, T. Lelie\u0300vre, N. Mousseau, A. F. Voter, \u201cLong-timescale simulations: Challenges, pitfalls, best practices, for development and applications\u201d in Handbook of Materials Modeling, W. Andreoni, S. Yip, Eds. (Springer, 2020), pp. 1\u201310.6. M. Bogojeski, L. Vogt-Maranto, M. E. Tuckerman, K. R. Mu\u0308ller, K. Burke, Quantum chemical accuracy from density functional approximations via machine learning. Nat. Commun. 11, 5223 (2020).7. R. Elber, D. E. Makarov, H. Orland, Molecular Kinetics in Condense Phases: Theory, Simulation, and Analysis (John Wiley, 2020).8. R. Elber, Perspective: Computer simulations of long time dynamics. J. Chem. Phys. 144, 060901 (2016).9. G. Henkelman, H. Jo \u0301 nsson, Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table. J. Chem. Phys. 115, 9657\u20139666 (2001). <\/p>\n

\uff08\u53c2\u8003\u6587\u732e\u53ef\u4e0a\u4e0b\u6ed1\u52a8\u67e5\u770b\uff09<\/p>\n

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<\/a>
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AI\u751f\u6210\u6a21\u578b\uff1a\u8d85\u8d8a\u6570\u636e\u89c2\u6d4b\u4e0e\u8ba1\u7b97\u673a\u6a21\u62df\u7684\u7b2c\u4e09\u6761\u79d1\u5b66\u63a2\u7d22\u4e4b\u8def\uff1f<\/a>Nature\u91cd\u78c5\uff1a\u7528\u6d3b\u7ec6\u80de\u642d\u5efa\u903b\u8f91\u7535\u8def\u2014\u2014\u8c03\u63a7\u7ec6\u80de\u529f\u80fd\u7684\u8de8\u5b66\u79d1\u4e4b\u65c5<\/a>\u6df1\u5ea6\u795e\u7ecf\u7f51\u7edc(DNN)\u662f\u5426\u6a21\u62df\u4e86\u4eba\u7c7b\u5927\u8111\u76ae\u5c42\u7ed3\u6784\uff1f<\/a>
\u52a0\u5165\u96c6\u667a\uff0c\u4e00\u8d77\u590d\u6742\uff01<\/a><\/p>\n

\u70b9\u51fb\u201c\u9605\u8bfb\u539f\u6587\u201d\uff0c\u8ffd\u8e2a\u590d\u6742\u79d1\u5b66\u9876\u520a\u8bba\u6587 <\/div>\n","protected":false},"excerpt":{"rendered":"

\u5bfc\u8bed \u5f53\u524d\u5728\u8ba1\u7b97\u79d1\u5b66\u3001\u8ba1\u7b97\u673a\u786c\u4ef6\u548c\u751f\u547d\u79d1\u5b66\u65b9\u9762\u65e0\u6cd5\u9884\u6599\u7684\u7a81\u7834\u53ef\u80fd\u4f1a\u4f7f\u6211\u4eec\u671d\u7740\u76ee\u6807\u8fc8\u8fdb\u8ba1\u7b97\u673a\u6a21\u62df\u751f\u7269\u5b66\u7684\u901f\u5ea6\u66f4\u5feb\u3002Roland R. Netz\u3001William A. Eaton | \u4f5c\u8005\u8d75\u96e8\u4ead | \u8bd1\u8005\u5218\u57f9\u6e90 | \u5ba1\u6821\u9093\u4e00\u96ea | \u7f16\u8f91 &nb…<\/p>\n","protected":false},"author":1,"featured_media":24485,"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\/24493"}],"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"}],"author":[{"embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=24493"}],"version-history":[{"count":0,"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/posts\/24493\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=\/wp\/v2\/media\/24485"}],"wp:attachment":[{"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=24493"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=24493"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=24493"},{"taxonomy":"special","embeddable":true,"href":"https:\/\/swarma.org\/index.php?rest_route=%2Fwp%2Fv2%2Fspecial&post=24493"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}