Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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Volume:13   Issue: 1
Pp: 1-3
Subhash C. Basak
DOI: 10.2174/157340991301170127200639

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

Volume:13   Issue: 1
Pp: 4-7
Subhash C. Basak and Rama K. Mishra
DOI: 10.2174/157340991301170127200832

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

Volume:13   Issue: 1
Pp: 22-29
Beata Szefler, Przemyslaw Czelen and Mircea V. Diudea
DOI: 10.2174/1573409912666161004160827

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

Volume:13   Issue: 1
Pp: 30-38
Sajjad Ahrari, Fatemeh Dabbagh, Sobhan Ahrari, Younes Ghasemi, Navid Mogharrab and Yasser Riazalhosseini
DOI: 10.2174/1573409912666160906093025

Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction

Volume:13   Issue: 1
Pp: 39-47
Olujide O. Olubiyi, Maryam O. Olagunju and Abiola O. Obisesan
DOI: 10.2174/1573409912666160909092600

Molecular Modeling Investigation of Some New 2-mercaptoimidazoles

Volume:13   Issue: 1
Pp: 48-56
Nidhi Rani and Randhir Singh
DOI: 10.2174/1573409912666160915154939

Nerve Conduction Through Dendrites via Proton Hopping

Volume:13   Issue: 1
Pp: 57-59
Lemont B. Kier
DOI: 10.2174/1573409912666160725113233

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

Volume:13   Issue: 1
Pp: 60-74
Klosinska-Szmurlo Ewa, Mazurek A. Pawel, Grudzien Monika and Betlejewska-Kielak Katarzyna
DOI: 10.2174/1573409912666161018094621

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

Volume:13   Issue: 1
Pp: 75-83
Vytautas Raskevicius and Visvaldas Kairys
DOI: 10.2174/1573409912666161129153820