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Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design. Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, etc., providing excellent rationales for drug development.

Publisher: Bentham Science Publishers

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Volume 13, Number 1, 2017

Articles

Free Content Graphical Abstracts
pp. i-iii(3)

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pp. 1-3(3)
Author: C. Basak, Subhash

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Understanding the Action of Indolizines as Biologically Active Moieties: A Molecular Dynamics Study
pp. 22-29(8)
Authors: Szefler, Beata; Czelen, Przemyslaw; V. Diudea, Mircea

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Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach
pp. 30-38(9)
Authors: Ahrari, Sajjad; Dabbagh, Fatemeh; Ahrari, Sobhan; Ghasemi, Younes; Mogharrab, Navid; Riazalhosseini, Yasser

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Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction
pp. 39-47(9)
Authors: O. Olubiyi, Olujide; O. Olagunju, Maryam; O. Obisesan, Abiola

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Molecular Modeling Investigation of Some New 2-mercaptoimidazoles
pp. 48-56(9)
Authors: Rani, Nidhi; Singh, Randhir

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Nerve Conduction Through Dendrites via Proton Hopping
pp. 57-59(3)
Author: B. Kier, Lemont

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A New Computational Approach to the Classification of Fluoroquinolones According to the Biopharmaceutical Classification System
pp. 60-74(15)
Authors: Ewa, Klosinska-Szmurlo; A. Pawel, Mazurek; Monika, Grudzien; Katarzyna, Betlejewska-Kielak

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Predicting Isoform-specific Binding Selectivities of Benzensulfonamides Using QSAR and 3D-QSAR
pp. 75-83(9)
Authors: Raskevicius, Vytautas; Kairys, Visvaldas

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