Jamshed Anwar

Prediction of aqueous solubility of a strongly soluble solute from molecular simulation

Interaction of gentamicin and gentamicin-AOT with poly-(lactide-co-glycolate) in a drug delivery system-density functional theory calculations and molecular dynamics simulation

Collaborative assessment of molecular geometries and energies from the Open Force Field

Open force field BespokeFit: automating bespoke torsion parametrization at scale

Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β

Heparin-assisted amyloidogenesis uncovered through molecular dynamics simulations

Investigating effect of mutation on structure and function of G6PD enzyme: a comparative molecular dynamics simulation study

Investigations on anticancer potentials by DNA binding and cytotoxicity studies for newly synthesized and characterized imidazolidine and thiazolidine-based isatin derivatives