Current Computer-Aided Drug Design

Editor-in-Chief:

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

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Preface: Differential Quantitative Structure-Activity Relationship (DiffQSAR) in the Characterization of Emerging Drug Resistance free to download

Volume:10   Issue: 1
Pp: 1-2
Subhash C. Basak
DOI: 10.2174/157340991001140501144526

Molecular Properties Prediction, Docking Studies, and Antimicrobial Screening of 1,3,4-Thiadiazole and s-Triazole Derivatives

Volume:10   Issue: 1
Pp: 3-14
Agata Siwek, Tomasz Plech, Joanna Stefanska, Pawel Staczek and Aleksandra Strzelczyk
DOI: 10.2174/15734099113096660033

Computationally Designed Atovaquone Prodrugs Based on Bruices Enzyme Model

Volume:10   Issue: 1
Pp: 15-27
Rafik Karaman, Beesan Fattash, Genarro Mecca and Maryam Bader
DOI: 10.2174/15734099113096660049

QSAR Analysis and Molecular Docking Simulation of Suggested Peptidomimetic NS3 Protease Inhibitors

Volume:10   Issue: 1
Pp: 28-40
Hamdy I.A. Mostafa, Nihal. S. El-bialy, Ahmed A. Ezat, Noha. A. Saleh and Medhat A. Ibrahim
DOI: 10.2174/15734099113096660048

Histidine Hydrogen Bonding in MHC at pH 5 and pH 7 Modeled by Molecular Docking and Molecular Dynamics Simulations

Volume:10   Issue: 1
Pp: 41-49
Atanas Patronov, Edvokiya Salamanova, Ivan Dimitrov, Darren R. Flower and Irini Doytchinova
DOI: 10.2174/15734099113096660050

Molecular Modeling on Streptolysin-O of Multidrug Resistant Streptococcus pyogenes and Computer Aided Screening and In Vitro Assay for Novel Herbal Inhibitors

Volume:10   Issue: 1
Pp: 59-74
Sinosh Skariyachan, Naik Sowmyalaxmi Narayan, Tejaswini S Aggimath, Sushmitha Nagaraj, Monika S Reddy and Rajeswari Narayanappa
DOI: 10.2174/1573409910666140401103910

QSAR Models for Anti-Malarial Activity of 4-Aminoquinolines

Volume:10   Issue: 1
Pp: 75-82
Vijay H. Masand, Andrey A. Toropov, Alla P. Toropova and Devidas T. Mahajan
DOI: 10.2174/1573409910666140303114621

Marine Natural Products as Acetylcholinesterase Inhibitor: Comparative Quantum Mechanics and Molecular Docking Study promotion: free to download

Volume:10   Issue: 1
Pp: 83-95
Maryam Farrokhnia and Iraj Nabipour
DOI: 10.2174/1573409910666140408155615