Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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3D-QSAR and Molecular Docking Studies on Oxadiazole Substituted Benzimidazole Derivatives: Validation of Experimental Inhibitory Potencies Towards COX-2

Volume:15   Issue: 4
Pp: 277-293
Vivek Asati, Piyush Ghode, Shalini Bajaj, Sanmati K. Jain and Sanjay K. Bharti*
DOI: 10.2174/1573409914666181003153249

QSAR Analysis of Multimodal Antidepressants Vortioxetine Analogs Using Physicochemical Descriptors and MLR Modeling

Volume:15   Issue: 4
Pp: 294-307
David M. Rajathei*, Subbiah Parthasarathy and Samuel Selvaraj
DOI: 10.2174/1573409914666181011144810

Molecular Modeling and Simulation of Transketolase from Orthosiphon stamineus

Volume:15   Issue: 4
Pp: 308-317
Mei Ling Ng, Zaidah binti Rahmat* and Mohd Shahir Shamsir bin Omar
DOI: 10.2174/1573409914666181022141753

Exploring the Role of Water Molecules in the Ligand Binding Domain of PDE4B and PDE4D: Virtual Screening Based Molecular Docking of Some Active Scaffolds

Volume:15   Issue: 4
Pp: 334-366
Priya Singh, Mitali Mishra, Shivangi Agarwal, Samaresh Sau, Arun K. Iyer* and Sushil K. Kashaw*
DOI: 10.2174/1573409914666181105153543