Volume 28, Issue 11 | Journal of Computer-Aided Molecular Design

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Volume 28, Issue 11

November 2014

Including Article of the Special Series: Statistics in Molecular Modeling

Issue Editor:

Anthony Nicholls

8 articles in this issue

Count on kappa
Paul Czodrowski
Special Series: Statistics in Molecular Modeling 11 July 2014 Pages: 1049 - 1055
Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterol
Valère Lounnas
Henry B. Wedler
Gert Vriend
OriginalPaper 05 August 2014 Pages: 1057 - 1067
AFAL: a web service for profiling amino acids surrounding ligands in proteins
Mauricio Arenas-Salinas
Samuel Ortega-Salazar
Raquel Quatrini
OriginalPaper Open access 02 August 2014 Pages: 1069 - 1076
A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant
Ayax Pérez-Gallegos
Mireia Garcia-Viloca
José M. Lluch
OriginalPaper 17 August 2014 Pages: 1077 - 1091
Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field
Juan Felipe Franco-Gonzalez
Javier Ramos
Javier Martinez-Salazar
OriginalPaper 17 August 2014 Pages: 1093 - 1107
Structural insights into binding of small molecule inhibitors to Enhancer of Zeste Homolog 2
Marko Kalinić
Mire Zloh
Slavica Erić
OriginalPaper 20 August 2014 Pages: 1109 - 1128
Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes
Rhiannon L. Kamstra
Saedeh Dadgar
Wely B. Floriano
OriginalPaper 24 August 2014 Pages: 1129 - 1142
Identification of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists using molecular modeling method
Veronica M. W. Gee
Fiona S. L. Wong
Chun Wei Yap
OriginalPaper 29 August 2014 Pages: 1143 - 1151