Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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Editorial (Thematic Issue: Chemo- and Bioinformatics in the Discovery of Antimalarial Drugs and Arthropod Repellents to Counter Vector Borne Diseases (VBDs)) promotion: free to download

Volume:9   Issue: 3
Pp: 299-299
Ramanathan Natarajan, Apurba K. Bhattacharjee and Yenamandra S. Prabhakar
DOI: 10.2174/15734099113099990016

How Computational Studies of Mosquito Repellents Contribute to the Control of Vector Borne Diseases promotion: free to download

Volume:9   Issue: 3
Pp: 300-307
Przemyslaw Miszta, Subhash C. Basak, Ramanathan Natarajan and Wieslaw Nowak
DOI: 10.2174/15734099113099990018

QSAR and Pharmacophore Modeling of Natural and Synthetic Antimalarial Prodiginines

Volume:9   Issue: 3
Pp: 350-359
Baljinder Singh, Ram A. Vishwakarma and Sandip B. Bharate
DOI: 10.2174/15734099113099990020

Molecular Docking and ADME Studies of Natural Compounds of Agarwood Oil for Topical Anti-Inflammatory Activity

Volume:9   Issue: 3
Pp: 360-370
Dharmendra K. Yadav, Vipin Mudgal, Jyoti Agrawal, Anil K. Maurya, Dnyaneshwar U. Bawankule, Chandan S. Chanotiya, Feroz Khan and Sanjog T. Thul
DOI: 10.2174/1573409911309030012

CoMFA, CoMSIA and HQSAR Studies of Acetylcholinesterase Inhibitors

Volume:9   Issue: 3
Pp: 385-395
Yu-Ren Jiang, Yan-Yan Yang, Yu-Ling Chen and Zhong-Jie Liang
DOI: 10.2174/15734099113099990015

Accelerating Quantum Chemistry Calculations with Graphical Processing Units - Toward in High-Density (HD) Silico Drug Discovery

Volume:9   Issue: 3
Pp: 396-401
Yohsuke Hagiwara, Kazuki Ohno, Masaya Orita, Ryota Koga, Toshio Endo, Yutaka Akiyama and Masakazu Sekijima
DOI: 10.2174/15734099113099990031

Metabolite Concentration as a Criterion for Antibacterial Discovery

Volume:9   Issue: 3
Pp: 412-416
Zhong-Yi Wang, Qiang Zhu and Hong-Yu Zhang
DOI: 10.2174/15734099113099990030

Ligand Based Validated Comparative Chemometric Modeling and Pharmacophore Mapping of Aurone Derivatives as Antimalarial Agents

Volume:9   Issue: 3
Pp: 417-432
Nilanjan Adhikari, Amit Kumar Halder, Chanchal Mondal and Tarun Jha
DOI: 10.2174/15734099113099990014

3D QSAR Studies on Substituted Benzimidazole Derivatives as Angiotensin II-AT1 Receptor Antagonist

Volume:9   Issue: 3
Pp: 433-445
Vivek K. Vyas, Manjunath Ghate, Chetan Chintha and Paresh Patel
DOI: 10.2174/15734099113099990028