Replica exchange Gaussian accelerated molecular dynamics: Improved enhanced sampling and free energy calculation

被引：0
|
作者：
Huang, Yu-ming [1 ]
McCammon, J. Andrew [2 ]
Miao, Yinglong [3 ,4 ]
机构：
[1] Univ Calif San Diego, Dept Chem & Biochem, San Diego, CA 92103 USA
[2] Univ Calif San Diego, La Jolla, CA 92093 USA
[3] Univ Kansas, Ctr Computat Biol, Lawrence, KS 66045 USA
[4] Univ Kansas, Dept Mol Biosci, Lawrence, KS 66045 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256卷
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
250
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页数：1
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