Evolution of physics-based methodology for exploring the conformational energy landscape of proteins.
Evolution of physics-based methodology for exploring the conformational energy landscape of proteins.
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用于探索蛋白质构象能量景观的基于物理的方法的演变。
DOI：
10.1002/jcc.1154
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发表时间：
2002
期刊：
影响因子：
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通讯作者：
Arnautova,YelenaA
中科院分区：
文献类型：
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作者：
Scheraga,HaroldA;Pillardy,Jaroslaw;Liwo,Adam;Lee,Jooyoung;Czaplewski,Cezary;Ripoll,DanielR;Wedemeyer,WilliamJ;Arnautova,YelenaA
我们的基于物理的计算方法的发展，以确定蛋白质构象，没有引入二级结构预测，同源建模，线程，或片段耦合被描述。最初使用硬球势能捕获了多肽链的大部分结构属性，随后更精细的力场，加上有效的全局优化方法，表明在理解蛋白质折叠背后的残基间相互作用方面正在取得进展。©2002威利期刊，Inc.《康普特化学》23：28-34,2002
The evolution of our physics‐based computational methods for determining protein conformation without the introduction of secondary‐structure predictions, homology modeling, threading, or fragment coupling is described. Initial use of a hard‐sphere potential captured much of the structural properties of polypeptide chains, and subsequent more refined force fields, together with efficient methods of global optimization provide indications that progress is being made toward an understanding of the interresidue interactions that underlie protein folding. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 28–34, 2002