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"Computational investigation of the binding mode of ..."

Matthias Negri, Maurizio Recanatini, Rolf W. Hartmann (2011)

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DOI: 10.1007/S10822-011-9464-7

access: closed

type: Journal Article

metadata version: 2021-10-14

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Matthias Negri, Maurizio Recanatini, Rolf W. Hartmann:
Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps. J. Comput. Aided Mol. Des. 25(9): 795-811 (2011)

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