"Holo-like and Druggable Protein Conformations from Enhanced Sampling of ..."

Andrea Basciu et al. (2019)

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DOI: 10.1021/ACS.JCIM.8B00730

access: closed

type: Journal Article

metadata version: 2021-10-14

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Andrea Basciu, Giuliano Malloci, Fabio Pietrucci, Alexandre M. J. J. Bonvin, Attilio Vittorio Vargiu:
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape. J. Chem. Inf. Model. 59(4): 1515-1528 (2019)

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