Molecular mechanics methods for predicting protein-ligand bindingNIU HUANG; KALYANARAMAN, Chakrapani; BERNACKI, Katarzyna et al.PCCP. Physical chemistry chemical physics (Print). 2006, Vol 8, Num 44, pp 5166-5177, issn 1463-9076, 12 p.Article

A Molecular Mechanics Approach to Modeling Protein—Ligand Interactions: Relative Binding Affinities in Congeneric SeriesRAPP, Chaya; KALYANARAMAN, Chakrapani; SCHIFFMILLER, Aviva et al.Journal of chemical information and modeling. 2011, Vol 51, Num 9, pp 2082-2089, issn 1549-9596, 8 p.Article

A Cysteine Protease Inhibitor Rescues Mice from a Lethal Cryptosporidium parvum InfectionNDAO, Momar; NATH-CHOWDHURY, Milli; KALYANARAMAN, Chakrapani et al.Antimicrobial agents and chemotherapy. 2013, Vol 57, Num 12, pp 6063-6073, issn 0066-4804, 11 p.Article

Conformational flexibility, internal hydrogen bonding, and passive membrane permeability : Successful in silico prediction of the relative permeabilities of cyclic peptidesREZAI, Taha; BOCK, Jonathan E; ZHOU, Mai V et al.Journal of the American Chemical Society. 2006, Vol 128, Num 43, pp 14073-14080, issn 0002-7863, 8 p.Article