Accurate and efficient generalized born model based on solvent accessibility derivation and application for LogP octanol/water prediction and flexible peptide docking

von Totrov, Maxim
Veröffentlicht in: Journal of computational chemistry (2004)

ICFF a new method to incorporate implicit flexibility into an internal coordinate force field

von Katritch, Vsevolod
Veröffentlicht in: Journal of computational chemistry (2003)