Ajaykumar Gandhi

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

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

Extending the identification of structural features responsible for anti-SARS-CoV activity of peptide-type compounds using QSAR modelling

Vijay H. Masand, Vesna Rastija, Meghshyam K. Patil et al. · SAR and QSAR in environmental research · 2020 · 26 citations

Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches

Ravindra L. Bakal, Rahul D. Jawarkar, Jagdish V. Manwar et al. · Saudi Pharmaceutical Journal · 2022 · 25 citations · Full text

QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA

Rahul D. Jawarkar, Ravindra L. Bakal, Nobendu Mukherjee et al. · Molecules · 2022 · 13 citations · Full text