Absolute protein-protein association rate constants from flexible, coarse-grained Brownian dynamics simulations: the role of intermolecular hydrodynamic interactions in barnase-barstar association.
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[1] R C Wade,et al. Simulation of the diffusional association of barnase and barstar. , 1997, Biophysical journal.
[2] Tihamér Geyer,et al. An O(N2) approximation for hydrodynamic interactions in Brownian dynamics simulations. , 2008, The Journal of chemical physics.
[3] D. Ermak,et al. Brownian dynamics with hydrodynamic interactions , 1978 .
[4] A. Shushin. Influence of hydrodynamic interaction on the diffusion-controlled reaction kinetics of molecules with highly anisotropic reactivity , 2003 .
[5] Huan‐Xiang Zhou,et al. Fundamental aspects of protein-protein association kinetics. , 2009, Chemical reviews.
[6] Harold L. Friedman,et al. A Hydrodynamic Effect in the Rates of Diffusion-Controlled Reactions1 , 1966 .
[7] S Vajda,et al. Kinetics of desolvation-mediated protein-protein binding. , 2000, Biophysical journal.
[8] A. Fersht,et al. Rapid, electrostatically assisted association of proteins , 1996, Nature Structural Biology.
[9] Rebecca C. Wade,et al. Effective Charges for Macromolecules in Solvent , 1996 .
[10] Adrian H Elcock,et al. Atomically detailed simulations of concentrated protein solutions: the effects of salt, pH, point mutations, and protein concentration in simulations of 1000-molecule systems. , 2006, Journal of the American Chemical Society.
[11] S. Takada,et al. Roles of native topology and chain-length scaling in protein folding: a simulation study with a Go-like model. , 2001, Journal of molecular biology.
[12] J. Mccammon,et al. Brownian dynamics simulation of diffusion‐influenced bimolecular reactions , 1984 .
[13] J. García de la Torre,et al. Calculation of hydrodynamic properties of globular proteins from their atomic-level structure. , 2000, Biophysical journal.
[14] J. Mccammon,et al. Situs: A package for docking crystal structures into low-resolution maps from electron microscopy. , 1999, Journal of structural biology.
[15] A. Elcock,et al. Striking Effects of Hydrodynamic Interactions on the Simulated Diffusion and Folding of Proteins. , 2009, Journal of chemical theory and computation.
[16] Piotr Zielenkiewicz,et al. Influence of macromolecular crowding on protein-protein association rates--a Brownian dynamics study. , 2008, Biophysical journal.
[17] Adrian H. Elcock,et al. Diffusion, Crowding & Protein Stability in a Dynamic Molecular Model of the Bacterial Cytoplasm , 2010, PLoS Comput. Biol..
[18] J A McCammon,et al. Electrostatic and hydrodynamic orientational steering effects in enzyme-substrate association. , 1995, Biophysical journal.
[19] R C Wade,et al. Protein-protein association: investigation of factors influencing association rates by brownian dynamics simulations. , 2001, Journal of molecular biology.
[20] B. U. Felderhof,et al. Hydrodynamic effect in diffusion‐controlled reaction , 1973 .
[21] Peter G. Wolynes,et al. Slip boundary conditions and the hydrodynamic effect on diffusion controlled reactions , 1976 .