Ephraim F. Marondedze

Computational investigation of the binding characteristics of β-amyloid fibrils.

Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.

Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics.

Exploiting the glycan receptor-binding site of PltB subunit in salmonella typhi toxin for novel inhibitors: An in-silico approach.