Current Computer-Aided Drug Design

Editor-in-Chief:

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

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Abstract Ahead of Print

Combined High Throughput Screening with QSAR Analysis Unravel Potential Glyoxalase-I inhibitors

Volume:16
Mahmoud A. Al-Sha’er*, Qosay A. Al-Balas and Mohammad A. Hassan

Molecular dynamics assisted mechanistic insight of Val430-Ala mutation of Rv1592c protein in isoniazid resistant Mycobacterium tuberculosis

Volume:16
Arbind Kumar*, Pradeep Kumar Anand, Saahil Chandel, Anju Shrivatava and Jagdeep Kaur

Design of potential IKK-β inhibitors using molecular docking and molecular dynamics techniques for their anti-cancer potential

Volume:16
Salam Pradeep Singh*, Iftikar Hussain, Bolin Kumar Konwar, Ramesh Chandra Deka and Chingakham Brajakishor Singh

Identification of novel cyclin A2 binding site and nanomolar inhibitors of cyclin A2-CDK2 complex

Volume:16
Stephanie S. Kim, Michele Joana Alves, Patrick Gygli, Jose Otero and Steffen Lindert*

A new class of coumate benzimidazole hybrids as BRCA-1 mimetics through unconventional binding mode; Synthesis and preliminary cytotoxicity screening

Volume:16
Selvaraj Jubie*, Neetu Yadav, Shyam Sundar P, Podila Naresh, Ashish Wadhwani and Jawahar Natarajan

Prediction of Oral Acute Toxicity of Organophosphates Using QSAR Methods

Volume:16
Mina Kianpour, Esmat Mohammadinasab* and Tahereh Momeni Esfahani

Modeling Physico-chemical Properties of Quinolone Derivatives Using GA-MLR as a Computational Study

Volume:15
Meysam Shirmohammadi, Esmat Mohammadinasab* and Zakiyeh Bayat