Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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Machine Learning in the Rational Design of Antimicrobial Peptides

Volume:10   Issue: 3
Pp: 183-190
Paola Rondon-Villarreal, Daniel A. Sierra and Rodrigo Torres
DOI: 10.2174/1573409910666140624124807

Public Databases of Plant Natural Products for Computational Drug Discovery promotion: free to download

Volume:10   Issue: 3
Pp: 191-196
Chun-Wei Tung
DOI: 10.2174/1573409910666140414145934

Inhibitor and Substrate Binding by New Delhi metallo-beta-lactamase-1: A Molecular Dynamics Studies

Volume:10   Issue: 3
Pp: 197-204
Yeng-Tseng Wang, Chi-Yu Lu, Tzyh-Chyuan Hour and Tian-Lu Cheng
DOI: 10.2174/1574886309666141126145225

Conformational Preference of Potassium Salts of N-Acylhydrazinecarbodithioates with Antifungal Activity. Combined Experimental and Theoretical Approach

Volume:10   Issue: 3
Pp: 205-216
Agata Siwek, Tomasz Plech, Nazar Trotsko, Urszula Kosikowska, Anna Malm, Katarzyna Dzitko and Piotr Paneth
DOI: 10.2174/1573409910666140521152701

Structural Characterization of Bacillus subtilis Membrane Protein Bmr: An In Silico Approach

Volume:10   Issue: 3
Pp: 226-236
Amit Nargotra, Rukmankesh, Shakir Ali and Surrinder Koul
DOI: 10.2174/157340991003150302230455

More Effective DPP4 Inhibitors as Antidiabetics Based on Sitagliptin Applied QSAR and Clinical Methods

Volume:10   Issue: 3
Pp: 237-249
Catalin Buiu, Speranta Avram, Daniel Duda-Seiman, Adina L. Milac, Corina Duda-Seiman, Liliana Pacureanu and Florin Borcan
DOI: 10.2174/157340991003150302230811

Molecular Factors Influencing the Affinity of Flavonoid Compounds on PGlycoprotein Efflux Transporter

Volume:10   Issue: 3
Pp: 250-258
Rodolfo N. Vazquez, Alejandra B. Camargo, Eduardo J. Marchevsky and Juan M. Luco
DOI: 10.2174/157340991003150302231140

Prediction of Thrombin and Factor Xa Inhibitory Activity with Associative Neural Networks

Volume:10   Issue: 3
Pp: 259-265
Vasyl Kovalishyn, Vsevolod Tanchuk, Iryna Kopernyk, Volodymyr Prokopenko and Larysa Metelytsia
DOI: 10.2174/157340991003150302231419

QSAR Models for the Reactivation of Sarin Inhibited Acetylcholinesterase by Quaternary Pyridinium Oximes Based on Monte Carlo Method

Volume:10   Issue: 3
Pp: 266-273
Aleksandar M. Veselinovic, Jovana B. Veselinovic, Andrey A. Toropov, Alla P. Toropova and Goran M. Nikolic
DOI: 10.2174/1574886309666141126144848

3D QSAR Analysis of 2-(Substituted Aryl)-Thiazolidine-4-Carboxamides as Potent Antitubercular Agents

Volume:10   Issue: 3
Pp: 274-281
Kurre Purna Nagasree, Muthyala Murali Krishna Kumar, Yejella Rajendra Prasad, Dharmarajan Sriram and Perumal Yogeeswari
DOI: 10.2174/1573409910666141121100515