Hezekiel Mathambo Kumalo

This study identifies Indinavir as a potential inhibitor of CHIKV nsP2 using HIV/HCV protease inhibitors through molecular dynamics simulations.

This study uses molecular dynamics to analyze how mutations in H5N1 influenza virus neuraminidase affect Peramivir binding, finding that mutations reduce binding stability and drug efficacy.

The paper uses molecular dynamics to compare binding affinities of two HRV-3C protease inhibitors, identifying key residues involved in ligand-enzyme interactions.