All-atom simulations of the trimeric spike protein of SARS-CoV-2 in aqueous medium: Nature of interactions, conformational stability and free energy diagrams for conformational transition of the protein. - Bhavana Panthi; Saheb Dutta; Amalendu Chandra (J. Comput. Chem., 2023)

A Multiple Proton Transfer Mechanism for the Charging Step of the Aminoacylation Reaction at the Active Site of Aspartyl tRNA Synthetase. - Saheb Dutta; Amalendu Chandra (J. Chem. Inf. Model., 2023)