Application of the ESMACS Binding Free Energy Protocol to a Multi‐Binding Site Lactate Dehydogenase A Ligand Dataset

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Authors: David W. Wright, Fouad Husseini, Shunzhou Wan, Christophe Meyer, Herman van Vlijmen, Gary Tresadern, Peter V. Coveney

Journal title: Advanced Theory and Simulations

Journal number: 3/1

Journal publisher: John Wiley & Sons

Published year: 2019

Published pages: 1900194

DOI identifier: 10.1002/adts.201900194

ISSN: 2513-0390