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

Testing Physical Models of Passive Membrane PermeationLEUNG, Siegfried S. F; MIJALKOVIC, Jona; BORRELLI, Kenneth et al.Journal of chemical information and modeling. 2012, Vol 52, Num 6, pp 1621-1636, issn 1549-9596, 16 p.Article

A Nonazole CYP51 Inhibitor Cures Chagas' Disease in a Mouse Model of Acute InfectionDOYLE, Patricia S; CHEN, Chiung-Kuang; JOHNSTON, Jonathan B et al.Antimicrobial agents and chemotherapy. 2010, Vol 54, Num 6, pp 2480-2488, issn 0066-4804, 9 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

Improving the species cross-reactivity of an antibody using computational designFARADY, Christopher J; SELLERS, Benjamin D; JACOBSON, Matthew P et al.Bioorganic & medicinal chemistry letters (Print). 2009, Vol 19, Num 14, pp 3744-3747, issn 0960-894X, 4 p.Article

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

Pharmacokinetics and Metabolism of 2-Aminothiazoles with Antiprion Activity in MiceSILBER, B. Michael; RAO, Satish; ZHE LI et al.Pharmaceutical research. 2013, Vol 30, Num 4, pp 932-950, issn 0724-8741, 19 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

Conformation Switching of Clathrin Light Chain Regulates Clathrin Lattice AssemblyWILBUR, Jeremy D; HWANG, Peter K; YBE, Joel A et al.Developmental cell. 2010, Vol 18, Num 5, pp 841-848, issn 1534-5807, 8 p.Article

Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomersREZAI, Taha; BIN YU; MILLHAUSER, Glenn L et al.Journal of the American Chemical Society. 2006, Vol 128, Num 8, pp 2510-2511, issn 0002-7863, 2 p.Article

Novel human lipoxygenase inhibitors discovered using virtual screening with homology modelsKENYON, Victor; CHORNY, Ilya; CARVAJAL, Wendy J et al.Journal of medicinal chemistry (Print). 2006, Vol 49, Num 4, pp 1356-1363, issn 0022-2623, 8 p.Article

Novel procedure for modeling ligand/receptor induced fit effectsSHERMAN, Woody; DAY, Tyler; JACOBSON, Matthew P et al.Journal of medicinal chemistry (Print). 2006, Vol 49, Num 2, pp 534-553, issn 0022-2623, 20 p.Article