2008

M. Fajer; D. Hamelberg; J.A. McCammon 2008 Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration. J. Chem. Theor. Comp.
J.A. McCammon; A.H. Zewail 2008 Computer-aided Drug Discovery: Physics-based Simulations from the Molecular to the Cellular Level. Physical Biology
L.C. Oliveira; A. Schug; J.N. Onuchic 2008 Geometrical Features of the Protein Folding Mechanism Are a Robust Property of the Energy Landscape: A Detailed Investigation of Several Reduced Models.. J. Phys. Chem. B
M.C. Prentiss; D.J. Wales; P.G. Wolynes 2008 Protein structure prediction using basin-hopping. Journal of Chemical Physics
D.U. Ferreiro; P.G. Wolynes 2008 The capillarity picture and the kinetics of one-dimensional protein folding.
T. Hou; W.A. McLaughlin; W. Wang 2008 Evaluating the potency of HIV-1 protease drugs to combat resistance. Proteins-Structure Function and Bioinformatics
B. Lu; X. Cheng; J.A. McCammon 2008 New-version-fast-multipole-method accelerated electrostatic interactions in biomolecular systems.
T.Y. Shen; C.H. Zong; J.J. Portman; P.G. Wolynes 2008 Variationally determined free energy profiles for structural models of proteins: Characteristic temperatures for folding and trapping. J. Phys. Chem. B
D. Grossman; I.S. Aranson; E. Ben Jacob 2008 Emergence of agent swarm migration and vortex formation through inelastic collisions. New J. Phys.
A.A. Gorfe; B.J. Grant; J.A. McCammon 2008 Mapping the nucleotide and isoform-dependent structural and dynamical features of ras proteins. Structure