2008

S.S. Gunatilleke; C.A.F. de Oliveira; J.A. McCammon; A.M. Barrios 2008 Inhibition of Cathepsin B by Au(I) Complexes: A Kinetic and Computational Study.
J.M. Bui; A. McCammon 2008 Intrinsic Conformational Flexibility of Acetylcholinesterase. Chem. Biol. Interact.
J.I. Sulkowska; P. Sulkowska; P. Szymczak; M. Cieplak 2008 Stabilizing effect of knots on proteins - How knots influence properties of proteins. Proc. Nat. Acad. Sci. USA
L.T. Bu; C.L. Brooks 2008 De novo prediction of the structures of M. tuberculosis membrane proteins. J. Am. Chem. Soc.
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