"Evaluating thermodynamic integration performance of the new amber ..."

Pin-Chih Su, Michael E. Johnson (2016)

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DOI: 10.1002/JCC.24274

access: closed

type: Journal Article

metadata version: 2021-04-09

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Pin-Chih Su, Michael E. Johnson:
Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors. J. Comput. Chem. 37(9): 836-847 (2016)

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