GMXPBSA 2.1: A GROMACS tool to perform MM/PBSA and computational alanine scanning

标题
GMXPBSA 2.1: A GROMACS tool to perform MM/PBSA and computational alanine scanning
作者
关键词
Molecular dynamics simulation, Binding free energy, Virtual screening, GROMACS, Computational alanine scanning, MM/PBSA
出版物
COMPUTER PHYSICS COMMUNICATIONS
Volume 186, Issue -, Pages 105-107
出版商
Elsevier BV
发表日期
2014-10-09
DOI
10.1016/j.cpc.2014.09.010

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