Volume 27, Issue 11 | Journal of Computer-Aided Molecular Design

Journal of Computer-Aided Molecular Design

Incorporating Perspectives in Drug Discovery and Design

Publishing model:: Hybrid

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Volume 27, Issue 11

November 2013

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5 articles in this issue

A structure-guided approach for protein pocket modeling and affinity prediction
Rocco Varela
Ann E. Cleves
Ajay 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 Yang
Gang Yang
Lijun Zhou
OriginalPaper 12 November 2013 Pages: 935 - 950
Antioxidant properties of phenolic Schiff bases: structure–activity relationship and mechanism of action
El Hassane Anouar
Salwa Raweh
Patrick 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 Chen
Jinan Wang
Guohui 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 Dallanoce
Giovanni Grazioso
Marco De Amici
OriginalPaper 26 November 2013 Pages: 975 - 987