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
Matthias Negri, Maurizio Recanatini, Rolf W. HartmannVolume:
25
Language:
english
Pages:
17
DOI:
10.1007/s10822-011-9464-7
Date:
September, 2011
File:
PDF, 2.82 MB
english, 2011