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Contents

Current Computer-Aided Drug Design, Volume 13 - Number 1


Editorial


Research Article

Screening of Potential Lead Molecule as Novel MurE Inhibitor: Virtual Screening, Molecular Dynamics and In Vitro Studies

, 13(1): 8 - 21

Kunal Zaveri and Patnala Kiranmayi


DOI: 10.2174/1573409912666161010142943



Research Article

Understanding the Action of Indolizines as Biologically Active Moieties: A Molecular Dynamics Study

, 13(1): 22 - 29

Beata Szefler, Przemyslaw Czelen and Mircea V. Diudea


DOI: 10.2174/1573409912666161004160827



Research Article

Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

, 13(1): 30 - 38

Sajjad Ahrari, Fatemeh Dabbagh, Sobhan Ahrari, Younes Ghasemi, Navid Mogharrab and Yasser Riazalhosseini


DOI: 10.2174/1573409912666160906093025



Research Article

Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction

, 13(1): 39 - 47

Olujide O. Olubiyi, Maryam O. Olagunju and Abiola O. Obisesan


DOI: 10.2174/1573409912666160909092600



Research Article


Research Article


Research Article

A New Computational Approach to the Classification of Fluoroquinolones According to the Biopharmaceutical Classification System

, 13(1): 60 - 74

Klosinska-Szmurlo Ewa, Mazurek A. Pawel, Grudzien Monika and Betlejewska-Kielak Katarzyna


DOI: 10.2174/1573409912666161018094621



Research Article

Predicting Isoform-specific Binding Selectivities of Benzensulfonamides Using QSAR and 3D-QSAR

, 13(1): 75 - 83

Vytautas Ra skevi cius and Visvaldas Kairys


DOI: 10.2174/1573409912666161129153820




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