A New Method for Navigating Optimal Direction for Pulling Ligand from Binding Pocket: Application to Ranking Binding Affinity by Steered Molecular Dynamics

Title
A New Method for Navigating Optimal Direction for Pulling Ligand from Binding Pocket: Application to Ranking Binding Affinity by Steered Molecular Dynamics
Authors
Keywords
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Journal
Journal of Chemical Information and Modeling
Volume 55, Issue 12, Pages 2731-2738
Publisher
American Chemical Society (ACS)
Online
2015-11-24
DOI
10.1021/acs.jcim.5b00386

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