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

Dynamic Simulation, Docking and DFT Studies Applied to a Set of Anti-Acetylcholinesterase Inhibitors in the enzyme β-Secretase (BACE-1): An Important Therapeutic Target in Alzheimer's Disease

Volume: 13   Issue: 4
Pp: 266-274
Edeildo F. Silva-Junior, Paulo H. Barcellos Franca, Lucindo J. Quintans-Junior, Francisco J. B. Mendonca-Junior, Luciana Scotti, Marcus T. Scotti, Thiago M. de Aquino and Joao X. de Araujo-Junior*
DOI: 10.2174/1573409913666170406150905

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Insight Mechanism of the Selective Lanosterol Synthase Inhibitor: Molecular Modeling, Docking and Density Functional Theory Approaches

Volume: 13   Issue: 4
Pp: 275-293
Subramanian Karunagaran, Rengarajan Kavitha, Muthu Vadivelu, Keun Woo Lee and Chandrasekaran Meganathan*
DOI: 10.2174/1573409913666170426153509

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An Integrated Computational Approach for Plant-Based Protein Tyrosine Phosphatase Non-Receptor Type 1 Inhibitors open access plus

Volume: 13   Issue: 4
Pp: 319-335
Shabana Bibi and Katsumi Sakata*
DOI: 10.2174/1573409913666170406145607

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Characterizing the Zika Virus Genome – A Bioinformatics Study promotion: free to download

Volume: 12   Issue: 2
Pp: 87-97
Ashesh Nandy, Sumanta Dey, Subhash C. Basak, Dorota Bielinska-Waz and Piotr Waz
DOI: 10.2174/1573409912666160401115812

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Screening and Elucidation of Selected Natural Compounds for Anti- Alzheimer’s Potential Targeting BACE-1 Enzyme: A Case Computational Study

Volume: 13   Issue: 4
Pp: 311-318
Syed Sayeed Ahmad, Salman Akhtar, Syed Mohd. Danish Rizvi, Mohammad A. Kamal, Usman Sayeed, Mohd. Kalim A. Khan, Mohd. Haris Siddiqui* and Jamal M. Arif
DOI: 10.2174/1573409913666170414123825

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Adsorption of Antifungal Drugs Inside Pristine and Functionalized Fullerenes and Nanotubes: DFT Investigation

Volume: 13   Issue: 3
Pp: 177-185
Tomasz Pieńko*, Monika, Grudzień, Przemysław Paweł Taciak and Aleksander P. Mazurek
DOI: 10.2174/1573409913666170303112858

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