Biblio
Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.,
, Proteins, 2001 Dec 1, Volume 45, p.428-37, (2001)
Hydrophobic similarity between molecules: a MST-based hydrophobic similarity index.,
, J Comput Chem, 2002 Apr 15, Volume 23, p.554-63, (2002)
Transferability of fragmental contributions to the octanol/water partition coefficient: an NDDO-based MST study.,
, J Comput Chem, 2003 Jan 15, Volume 24, p.32-45, (2003)