A structure-guided approach for protein pocket modeling and affinity prediction Rocco VarelaAnn E. ClevesAjay N. Jain OriginalPaper Open access 09 November 2013 Pages: 917 - 934
Mutation effects of neuraminidases and their docking with ligands: a molecular dynamics and free energy calculation study Zhiwei YangGang YangLijun Zhou OriginalPaper 12 November 2013 Pages: 935 - 950
Antioxidant properties of phenolic Schiff bases: structure–activity relationship and mechanism of action El Hassane AnouarSalwa RawehPatrick Trouillas OriginalPaper 16 November 2013 Pages: 951 - 964
A computational analysis of binding modes and conformation changes of MDM2 induced by p53 and inhibitor bindings Jianzhong ChenJinan WangGuohui Li OriginalPaper 22 November 2013 Pages: 965 - 974
Investigating the hydrogen-bond acceptor site of the nicotinic pharmacophore model: a computational and experimental study using epibatidine-related molecular probes Clelia DallanoceGiovanni GraziosoMarco De Amici OriginalPaper 26 November 2013 Pages: 975 - 987