2013

P. Setny; R. Baron; J.A. McCammon 2013 Comment on 'Molecular driving forces of the pocket-ligand hydrophobic association' by G. Graziano, Chem. Phys. Lett. 533 (2012) 95. Chem. Phys. Lett.
P. Setny; R. Baron; P.M. Kekenes-Huskey; J.A. McCammon; J. Dzubiella 2013 Solvent fluctuations in hydrophobic cavity-ligand binding kinetics. Proc. Nat. Acad. Sci. USA
B. Zhang; B.Z. Lu; X.L. Cheng; J.F. Huang; N.P. Pitsianis; X.B. Sun; J.A. McCammon 2013 Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver. Comm. Comp. Phys.
B.T. Andrews; D.T. Capraro; J.I. Sukowska; J.N. Onuchic; P.A. Jennings 2013 Hysteresis as a Marker for Complex, Overlapping Landscapes in Proteins. J. Phys. Chem. Letts.
M.O. Kim; S.E. Nichols; Y. Wang; J.A. McCammon 2013 Effects of histidine protonation and rotameric states on virtual screening of M-tuberculosis RmlC. J. Comp. Aided Molec. Design
M. Basan; J. Elgeti; E. Hannezo; W.J. Rappel; H. Levine 2013 Alignment of cellular motility forces with tissue flow as a mechanism for efficient wound healing. Proc. Nat. Acad. Sci. USA
K.E. Rogers; J.M. Ortiz-Sanchez; R. Baron; M. Fajer; C.A.F. de Oliveira; J.A. McCammon 2013 On the Role of Dewetting Transitions in Host-Guest Binding Free Energy Calculations. J. Chem. Theor. Comp.
J.I. Sulkowska; J.K. Noel; C.A. Ramirez-Sarmiento; E.J. Rawdon; K.C. Millett; J.N. Onuchic 2013 Knotting pathways in proteins. Biochemical Society Transactions
F. Bai; Y.C. Xu; J. Chen; Q.F. Liu; J.F. Gu; X.C. Wang; J.P. Ma; H.L. Li; J.N. Onuchic; H.L. Jiang 2013 Free energy landscape for the binding process of Huperzine A to acetylcholinesterase. Proc. Nat. Acad. Sci. USA
P.C. Whitford; S.C. Blanchard; J.H.D. Cate; K.Y. Sanbonmatsu 2013 Connecting the Kinetics and Energy Landscape of tRNA Translocation on the Ribosome. Plos Comp. Biol.