Nadia Dingelstad

Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2

A. Ganesan, S. Mandal, Partha Palit, 2021, Journal of biomolecular structure & dynamics.

Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

A. Ganesan, M. R. Lugo, S. Kalyaanamoorthy, 2020, Scientific Reports.