BioinformaticsbioRxivPreprint
Repurposing Remdesivir for COVID-19: Computational Drug Design Targeting SARS-CoV-2 RNA Polymerase and Main Protease using Molecular Dynamics Approach
Mita Shikder, Kazi Ahsan Ahmed, Abu Tayab Moin…·Afrin Sultana Chowdhury
This study designs remdesivir derivatives targeting SARS-CoV-2 RdRp and MPro using molecular docking and dynamics simulations to improve efficacy and stability.