"Effect of sampling on BACE-1 ligands binding free energy predictions via ..."

Nicolas Chéron, Eugene I. Shakhnovich (2017)

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DOI: 10.1002/JCC.24839

access: closed

type: Journal Article

metadata version: 2020-04-01

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Nicolas Chéron, Eugene I. Shakhnovich:
Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations. J. Comput. Chem. 38(22): 1941-1951 (2017)

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