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

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Title
GMXPBSA 2.1: A GROMACS tool to perform MM/PBSA and computational alanine scanning
Authors
Keywords
Molecular dynamics simulation, Binding free energy, Virtual screening, GROMACS, Computational alanine scanning, MM/PBSA
Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 186, Issue -, Pages 105-107
Publisher
Elsevier BV
Online
2014-10-09
DOI
10.1016/j.cpc.2014.09.010

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