Rahul D. Jawarkar

QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches

Rahul D. Jawarkar, Ravindra L. Bakal, Magdi E. A. Zaki et al. · Arabian Journal of Chemistry · 2021 · 47 citations · Full text

CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines

Devidas T. Mahajan, Vijay H. Masand, Komalsing N. Patil et al. · Bioorganic & Medicinal Chemistry Letters · 2012 · 41 citations

Medicinal Chemistry, Biochemistry, Antiparasitic Agent +9

QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads

Rahul D. Jawarkar, Praveen Sharma, Neetesh Kumar Jain et al. · Molecules · 2022 · 37 citations · Full text

Drug Target, Hit Identification, Mmgbsa Calculations Approaches +20

Does tautomerism influence the outcome of QSAR modeling?

Vijay H. Masand, Devidas T. Mahajan, Taïbi Ben Hadda et al. · Medicinal Chemistry Research · 2013 · 28 citations

Qsar Modeling, Medicine, Rational Drug Design +4

Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer’s disease

Nobendu Mukerjee, Anubhab Das, Rahul D. Jawarkar et al. · Frontiers in Aging Neuroscience · 2022 · 28 citations · Full text