Inflation of correlation in the pursuit of drug-likeness Peter W. KennyCarlos A. Montanari Perspective 10 January 2013 Pages: 1 - 13
A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function Nadine SchneiderGudrun LangeMatthias Rarey OriginalPaper 27 December 2012 Pages: 15 - 29
Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing David ZanuyFrancisco J. SayagoCarlos Alemán OriginalPaper 14 December 2012 Pages: 31 - 43
Computational study of the effects of protein tyrosine nitrations on the catalytic activity of human thymidylate synthase Adam JarmułaWojciech Rode OriginalPaper 13 December 2012 Pages: 45 - 66
Biomacromolecular quantitative structure–activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein–protein binding affinity Peng ZhouCongcong WangJian Huang OriginalPaper 10 January 2013 Pages: 67 - 78
Combined use of pharmacophoric models together with drug metabolism and genotoxicity “in silico” studies in the hit finding process Ma José JerezMiguel JerezAna Castro OriginalPaper 08 January 2013 Pages: 79 - 90
EuLoc: a web-server for accurately predict protein subcellular localization in eukaryotes by incorporating various features of sequence segments into the general form of Chou’s PseAAC Tzu-Hao ChangLi-Ching WuJorng-Tzong Horng OriginalPaper 03 January 2013 Pages: 91 - 103
Erratum to: Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations Pavel V. KlimovichDavid L. Mobley Erratum 23 January 2013 Pages: 105 - 105