2009

L.T. Cheng; Y. Xie; J. Dzubiella; J.A. McCammon; J.W. Che; B. Li 2009 Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules. J. Chem. Theor. Comp.
Y.S. Liu; C.F. Stevens; T.O. Sharpee 2009 Predictable irregularities in retinal receptive fields. Proc. Nat. Acad. Sci. USA
R.E. Amaro; X.L. Cheng; I. Ivanov; D. Xu; J.A. McCammon 2009 Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born Molecular Dynamics and End-Point Free Energy Calculations. J. Am. Chem. Soc.
S. Wong; R.E. Amaro; J.A. McCammon 2009 MM-PBSA Captures Key Role of Intercalating Water Molecules at a Protein-Protein Interface. J. Chem. Theor. Comp.
B.Z. Lu; X.L. Cheng; J.F. Huang; J.A. McCammon 2009 An Adaptive Fast Multipole Boundary Element Method for Poisson-Boltzmann Electrostatics.
C. Hyeon; P.A. Jennings; J.A. Adams; J.N. Onuchic 2009 Ligand-induced global transitions in the catalytic domain of protein kinase A. Proc. Nat. Acad. Sci. USA
A.A. Gorfe; B.Z. Lu; Z.Y. Yu; J.A. McCammon 2009 Enzymatic Activity versus Structural Dynamics: The Case of Acetylcholinesterase Tetramer. Biophys. J.
A. Agrawal; C.A.F. de Oliveira; Y.H. Cheng; J.A. Jacobsen; J.A. McCammon; S.M. Cohen 2009 Thioamide Hydroxypyrothiones Supersede Amide Hydroxypyrothiones in Potency against Anthrax Lethal Factor.
A. Schug; M. Weigt; J.N. Onuchic; T. Hwa; H. Szurmant 2009 High-resolution protein complexes from integrating genomic information with molecular simulation. Proc. Nat. Acad. Sci. USA
P.G. Wolynes 2009 Some quantum weirdness in physiology. Proc. Nat. Acad. Sci. USA