An interview with Phil Bourne, associate director of the RCSB protein data bank W. A. Warr Warr's Piece 25 February 2012 Pages: 165 - 167
The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures John LiebeschuetzJana HennemannColin R. Groom OriginalPaper Open access 14 January 2012 Pages: 169 - 183
Are predefined decoy sets of ligand poses able to quantify scoring function accuracy? Oliver KorbTim ten BrinkThomas E. Exner OriginalPaper 10 January 2012 Pages: 185 - 197
An improved theoretical approach to the empirical corrections of density functional theory Jenn-Huei LiiChing-Han Hu OriginalPaper 24 December 2011 Pages: 199 - 213
Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir Parimal KarVolker Knecht OriginalPaper 14 February 2012 Pages: 215 - 232
In silico inspired design and synthesis of a novel tubulin-binding anti-cancer drug: folate conjugated noscapine (Targetin) Pradeep K. NaikManu LopusHarish C. Joshi OriginalPaper 15 December 2011 Pages: 233 - 247
Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors Rand ShahinSaja AlQtaishatMutasem O. Taha OriginalPaper 14 December 2011 Pages: 249 - 266