Contents

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

Biography

Meet Our Editor

, 13(1): 1 - 3

Subhash C. Basak


DOI: 10.2174/157340991301170127200639




Editorial

Editorial: Descriptor Spaces for QSAR: Delving into the History of the Expanding Frontier

, 13(1): 4 - 7

Subhash C. Basak and Rama K. Mishra


DOI: 10.2174/157340991301170127200832




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

Molecular Modeling Investigation of Some New 2-mercaptoimidazoles

, 13(1): 48 - 56

Nidhi Rani and Randhir Singh


DOI: 10.2174/1573409912666160915154939





Research Article

Nerve Conduction Through Dendrites via Proton Hopping

, 13(1): 57 - 59

Lemont B. Kier


DOI: 10.2174/1573409912666160725113233





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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