Current Computer-Aided Drug Design

Subhash C. Basak
Departments of Chemistry, Biochemistry & Molecular Biology University of Minnesota Duluth
Duluth, MN 55811
USA

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Ahead of Print Article(s)

Quantitative Structure-Activity Relationships of Aquatic Narcosis: A Review

Volume:13
Chandana Adhikari and Bijay kumar Mishra

Design, Synthesis, and Biological Evaluation of Vanillin Hydroxamic Acid Derivatives as Novel Peptide Deformylase Inhibitors

Volume:13
Jian Gao, Shengzhi Qiu, Li Liang, Zhixiang Hao, Qianqian Zhou, Fanfan Wang, Jie Mou and Qisi Lin

Molecular Docking Studies Applied to a Dataset of Cruzain Inhibitors

Volume:13
Edeildo Ferreira da Silva-Júnior , Paulo Henrique Barcellos França , Frederico Fávaro Ribeiro, Francisco Jaime Bezerra Mendonça-Júnior, Luciana Scotti , Marcus Tullius Scotti, Thiago Mendonça de Aquino and João Xavier de Araújo-Júnior

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

Volume:13
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

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

Volume:13
Subramanian Karunagaran, Chandrasekaran Meganathan, Rengarajan Kavitha, Muthu Vadivelu and Kuen Woo Lee

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
Edeildo F Silva-Júnior, Paulo H. Barcellos França, Lucindo José Quintas-Júnior, Francisco J. B. Mendonça-Junior, Luciana Scotti, Marcus T. Scotti, Thiago Mendonça de Aquino and João Xavier Araújo-Júnior

Computer-Aided Structure Based Drug Design Approaches for the Discovery of new Anti-CHIKV Agents

Volume:13
Surender Singh Jadav, Barij Nayan Sinha, Rolf Hilgenfeld and Venkatesan Jayaprakash