Mohd Athar

The paper investigates the molecular mechanism of MdtF, an RND transporter in E. coli, revealing structural and functional adaptations for multidrug efflux under anaerobic and acidic conditions.

This study shows that a single conserved residue transfer between RND efflux pump clusters alters drug resistance and conformational dynamics.

This paper introduces a method to generate bound-like conformations of flexible, multi-domain proteins using unbound structures and binding site information, demonstrating its effectiveness on adenylate kinase.

This paper compares SARS-CoV-2 and SARS-CoV Mpro using molecular dynamics simulations to assess structural differences and their impact on drug repurposing for COVID-19.