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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 10, Number 3, 2014

Articles

Machine Learning in the Rational Design of Antimicrobial Peptides
pp. 183-190(8)
Authors: Rondon-Villarreal, Paola; A. Sierra, Daniel; Torres, Rodrigo

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Inhibitor and Substrate Binding by New Delhi metallo-beta-lactamase-1: A Molecular Dynamics Studies
pp. 197-204(8)
Authors: Wang, Yeng-Tseng; Lu, Chi-Yu; Hour, Tzyh-Chyuan; Cheng, Tian-Lu

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Conformational Preference of Potassium Salts of N-Acylhydrazinecarbodithioates with Antifungal Activity. Combined Experimental and Theoretical Approach
pp. 205-216(12)
Authors: Siwek, Agata; Plech, Tomasz; Trotsko, Nazar; Kosikowska, Urszula; Malm, Anna; Dzitko, Katarzyna; Paneth, Piotr

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Structural Characterization of Bacillus subtilis Membrane Protein Bmr: An In Silico Approach
pp. 226-236(11)
Authors: Nargotra, Amit; Rukmankesh; Ali, Shakir; Koul, Surrinder

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More Effective DPP4 Inhibitors as Antidiabetics Based on Sitagliptin Applied QSAR and Clinical Methods
pp. 237-249(13)
Authors: Buiu, Catalin; Avram, Speranta; Duda-Seiman, Daniel; L. Milac, Adina; Duda-Seiman, Corina; Pacureanu, Liliana; Borcan, Florin

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Molecular Factors Influencing the Affinity of Flavonoid Compounds on PGlycoprotein Efflux Transporter
pp. 250-258(9)
Authors: N. Vazquez, Rodolfo; B. Camargo, Alejandra; J. Marchevsky, Eduardo; M. Luco, Juan

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Prediction of Thrombin and Factor Xa Inhibitory Activity with Associative Neural Networks
pp. 259-265(7)
Authors: Kovalishyn, Vasyl; Tanchuk, Vsevolod; Kopernyk, Iryna; Prokopenko, Volodymyr; Metelytsia, Larysa

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QSAR Models for the Reactivation of Sarin Inhibited Acetylcholinesterase by Quaternary Pyridinium Oximes Based on Monte Carlo Method
pp. 266-273(8)
Authors: M. Veselinovic, Aleksandar; B. Veselinovic, Jovana; A. Toropov, Andrey; P. Toropova, Alla; M. Nikolic, Goran

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3D QSAR Analysis of 2-(Substituted Aryl)-Thiazolidine-4-Carboxamides as Potent Antitubercular Agents
pp. 274-281(8)
Authors: Purna Nagasree, Kurre; Murali Krishna Kumar, Muthyala; Rajendra Prasad, Yejella; Sriram, Dharmarajan; Yogeeswari, Perumal

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