Current Computer-Aided Drug Design

Editor-in-Chief:

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA

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Most Accessed Articles

Molecular Docking Studies Applied to a Dataset of Cruzain Inhibitors promotion: free to download

Volume: 14   Issue: 1
Pp: 68-78
Edeildo Ferreira da Silva-Junior, Paulo Henrique Barcellos Franca, Frederico Favaro Ribeiro, Francisco Jaime Bezerra Mendonca-Junior, Luciana Scotti*, Marcus Tullius Scotti, Thiago Mendonca de Aquino and Joao Xavier de Araujo-Junior
DOI: 10.2174/1573409913666170519112758

Quantitative Analysis of Essential Molecular Features of Coumarin Derivatives with Antioxidant Activity Using Chemometric Tools

Volume: 12   Issue: 3
Pp: 241-250
Biplab De, Indrani Adhikari, Ashis Nandy, Achintya Saha and Binoy B. Goswami
DOI: 10.2174/1573409912666160721153935

Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer

Volume: 14   Issue: 3
Pp: 246-252
Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*
DOI: 10.2174/1573409914666180228111433

Molecular Modeling Studies on Some Important Anticancer Heterocycles: An Overview

Volume: 14   Issue: 3
Pp: 178-190
Mayura Kale*, Gajanan Sonwane, Rajesh Nawale and Vishnukant Mourya
DOI: 10.2174/1573409914666180321105745

Structural Optimization of Mangiferin Binding to Cancer Molecular Targets: A Guide for Synthetic Derivatization

Volume: 14   Issue: 4
Pp: 292-301
Bamigboye J. Taiwo*, Olujide O. Olubiyi* and Fanie R. van Heerden
DOI: 10.2174/1573409914666180321110519

Development of QSPR Strategy for the Solubility Prediction

Volume: 14   Issue: 4
Pp: 302-309
Nupur S. Munjal, Manu Sharma and Tiratha Raj Singh*
DOI: 10.2174/1573409914666180713114954

Molecular Docking and Dynamic Simulation Studies of Terpenoids of I. wightii (Bentham) H. Hara against Acetylcholinesterase and Histone Deacetylase3 Receptors

Volume: 14   Issue: 3
Pp: 234-245
Madhusudhanan Gogul Ramnath, Ramaraj Thirugnanasampandan*, Nagarajan NagaSundaram and Gunasekaran Bhuvaneswari
DOI: 10.2174/1573409914666180321111925