In silico prediction of acyl glucuronide reactivity Tim PotterRichard LewisStuart Paine OriginalPaper 26 October 2011 Pages: 997 - 1005
Modeling the pharmacodynamics of passive membrane permeability Robert V. SwiftRommie E. Amaro OriginalPaper Open access 01 November 2011 Pages: 1007 - 1017
Conformational studies of immunodominant myelin basic protein 1–11 analogues using NMR and molecular modeling Despina LaimouEliada LazouraTheodore V. Tselios OriginalPaper 01 November 2011 Pages: 1019 - 1032
Improving molecular docking through eHiTS’ tunable scoring function Orr RavitzZsolt ZsoldosAniko Simon OriginalPaper 11 November 2011 Pages: 1033 - 1051
Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug design Benjamin SchaeferCaroline KiskerChristoph A. Sotriffer OriginalPaper 11 November 2011 Pages: 1053 - 1069
Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1 Victor M. AnisimovArturas ZiemysClaudio N. Cavasotto OriginalPaper 16 November 2011 Pages: 1071 - 1084
MM/GBSA and LIE estimates of host–guest affinities: dependence on charges and solvation model Samuel Genheden OriginalPaper 19 November 2011 Pages: 1085 - 1093