The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.
作者信息
Jorgensen W L, Tirado-Rives J
出版信息
J Am Chem Soc. 1988 Mar 1;110(6):1657-66. doi: 10.1021/ja00214a001.
PMID:27557051
Abstract
摘要
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