Contents

Current Computer-Aided Drug Design, Volume 11 - Number 2

Meet Our Editorial Board Member:

, 11(2): 99

Marjan Vracko


DOI: 10.2174/157340991102150904100935




Editorial

Editorial: Importance of Experimental Validation of Pharmacophore Based Virtual Screening of Compound Databases

, 11(2): 100 - 101

Subhash C. Basak and Apurba K. Bhattacharjee


DOI: 10.2174/157340991102150904101411




Exploring Natural Products from the Biodiversity of Pakistan for Computational Drug Discovery Studies: Collection, Optimization, Design and Development of A Chemical Database (ChemDP)

, 11(2): 102 - 109

Shaher Bano Mirza, Habib Bokhari and Muhammad Qaiser Fatmi


DOI: 10.2174/157340991102150904101740




Prognosis of Possible Reassortments in Recent H5N2 Epidemic Influenza in USA: Implications for Computer-Assisted Surveillance As Well As Drug/Vaccine Design

, 11(2): 110 - 116

Ashesh Nandy and Subhash C. Basak


DOI: 10.2174/1573409911666150722122034




Prediction of Mutagenicity of Chemicals from Their Calculated Molecular Descriptors: A Case Study with Structurally Homogeneous versus Diverse Datasets

, 11(2): 117 - 123

Subhash C. Basak and Subhabrata Majumdar


DOI: 10.2174/1871524915666150722121322




Insight into the Binding of DFG-out Allosteric Inhibitors to B-Raf Kinase Using Molecular Dynamics and Free Energy Calculations

, 11(2): 124 - 136

Luis Coronel, Jose M. Granadino-Roldán, Marta Pinto, Maria S. Tomas, Maria D. Pujol and Jaime Rubio-Martinez


DOI: 10.2174/1573409911666150702100245




Molecular Docking Reveals Binding Features of Estrogen Receptor Beta Selective Ligands

, 11(2): 137 - 151

Pawel Ksiazek and Krzysztof Bryl


DOI: 10.2174/1573409911666150722121814




A Structure Guided QSAR: A Rapid and Accurate technique to predict IC50: A Case Study

, 11(2): 152 - 163

Rama K. Mishra and Jasbir Singh


DOI: 10.2174/1573409911666150702100839




3D-QSAR Selectivity Analysis of 1-Adamantyl-3-Heteroaryl Urea Analogs as Potent Inhibitors of Mycobacterium tuberculosis

, 11(2): 164 - 183

Preeti Wadhwa, Sourav Bagchi and Anuj Sharma


DOI: 10.2174/1573409911666150803154114




QSAR of Chalcones Utilizing Theoretical Molecular Descriptors

, 11(2): 184 - 193

Sisir Nandi and Manish C. Bagchi


DOI: 10.2174/1573409911666150702101559




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