2009

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.

2008

D. Abankwa; A.A. Gorfe; J.F. Hancock 2008 Mechanisms of Ras membrane organization and signaling: Ras on a rocker. Cell Cycle
O.K. Dudko; G. Hummer; A. Szabo 2008 Theory, analysis, and interpretation of single-molecule force spectroscopy experiments. Proc. Nat. Acad. Sci. USA
R. Baron; S.E. Wong; C.A.F. de Oliveira; J.A. McCammon 2008 E9-Im9 Colicin DNase-Immunity Protein Biomolecular Association in Water: A Multiple-Copy and Accelerated Molecular Dynamics Simulation Study. J. Phys. Chem. B
J. Liu; A. Desai; J.N. Onuchic; T. Hwa 2008 An integrated mechanobiochemical feedback mechanism describes chromosome motility from prometaphase to anaphase in mitosis.
C.H. You; A. Sekowska; O. Francetic; I. Martin-Verstraete; Y.P. Wang; A. Danchin 2008 Spx mediates oxidative stress regulation of the methionine sulfoxide reductases operon in Bacillus subtilis.