Abhilash Jayaraj

Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures

Durgesh Kumar, Kamlesh Kumari, Abhilash Jayaraj et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 112 citations · Full text

Different Temperatures, Medicinal Chemistry, Current Outbreak +15

Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation

Durgesh Kumar, Kamlesh Kumari, Vijay Kumar Vishvakarma et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 75 citations · Full text

A Theoretical Model to Study the Interaction of Erythro‐Noscapines with nsP3 protease of Chikungunya Virus

Durgesh Kumar, Prashant Singh, Abhilash Jayaraj et al. · ChemistrySelect · 2019 · 42 citations

Viral Replication, Engineering, Molecular Biology +17

In-silico prediction of novel drug-target complex of nsp3 of CHIKV through molecular dynamic simulation

Durgesh Kumar, Mahendra Kumar Meena, Kamlesh Kumari et al. · Heliyon · 2020 · 41 citations · Full text

Trimethylamine-N-oxide switches from stabilizing nature: A mechanistic outlook through experimental techniques and molecular dynamics simulation

Anjeeta Rani, Abhilash Jayaraj, B. Jayaram et al. · Scientific Reports · 2016 · 40 citations · Full text

Biophysical Modeling, Mechanistic Outlook, Engineering +19