Estimation of Ligand Efficacies of Metabotropic Glutamate Receptors from Conformational Forces Obtained from Molecular Dynamics Simulations. - Sirish Kaushik Lakkaraju; Fengtian Xue; Alan I. Faden; Alexander D. MacKerell Jr. (J. Chem. Inf. Model., 2013)

Impact of Substrate Protonation and Tautomerization States on Interactions with the Active Site of Arginase I. - Shanthi Nagagarajan; Fengtian Xue; Alexander D. MacKerell Jr. (J. Chem. Inf. Model., 2013)