Multiple time step diffusive Langevin dynamics for proteins
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journal
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February 1998 |
Continuum Diffusion Reaction Rate Calculations of Wild-Type and Mutant Mouse Acetylcholinesterase: Adaptive Finite Element Analysis
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journal
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September 2004 |
Non-Boltzmann Rate Distributions in Stochastically Gated Reactions
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journal
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January 1999 |
Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program
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journal
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March 1991 |
Smoothed particle hydrodynamics continuous boundary force method for Navier–Stokes equations subject to a Robin boundary condition
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journal
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February 2014 |
Finite concentration effects on diffusion-controlled reactions
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journal
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January 2004 |
Smoothed Particle Hydrodynamics and Its Diverse Applications
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journal
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January 2012 |
Self-consistent generalized Langevin equation for colloid dynamics
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journal
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November 2001 |
A new smoothed particle hydrodynamics non-Newtonian model for friction stir welding: Process modeling and simulation of microstructure evolution in a magnesium alloy
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journal
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September 2013 |
Finite Element Solution of the Steady-State Smoluchowski Equation for Rate Constant Calculations
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journal
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April 2004 |
Very fast empirical prediction and rationalization of protein pKa values
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journal
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October 2005 |
Poisson–Nernst–Planck equations for simulating biomolecular diffusion–reaction processes I: Finite element solutions
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journal
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September 2010 |
Diffusion Control in Biochemical Reactions
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book
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January 1974 |
Finite Element Analysis of the Time-Dependent Smoluchowski Equation for Acetylcholinesterase Reaction Rate Calculations
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journal
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May 2007 |
A commentary on gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme, by R. C. Wade, M. E. Davis, B. A. Luty, J. D. Madura, and J. A. McCammon
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journal
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January 1993 |
Kinetics of diffusion-controlled enzymatic reactions with charged substrates
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journal
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January 2010 |
Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme
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journal
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January 1993 |
[22] Diffusion-controlled enzymatic reactions
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book
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January 1991 |
PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations
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journal
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July 2004 |
Fractional diffusion-limited component of reactions catalyzed by acetylcholinesterase
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journal
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January 1986 |
Effective charge on acetylcholinesterase active sites determined from the ionic strength dependence of association rate constants with cationic ligands
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journal
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August 1980 |
A Monte Carlo simulation study of the influence of internal motions on the molecular conformation deduced from two-dimensional nmr experiments
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journal
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November 1989 |
Improving implicit solvent simulations: a Poisson-centric view
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journal
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April 2005 |
A novel method for modeling Neumann and Robin boundary conditions in smoothed particle hydrodynamics
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journal
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December 2010 |
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations
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journal
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May 2007 |
Hydrolysis of low concentrations of the acetylthiocholine analogs acetyl(homo)thiocholine and acetyl(nor)thiocholine by acetylcholinesterase may be limited by selective gating at the enzyme peripheral site
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journal
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March 2013 |
Fast Monte Carlo Simulation Methods for Biological Reaction-Diffusion Systems in Solution and on Surfaces
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journal
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January 2008 |
Lateral diffusion and aggregation. A Monte Carlo study
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journal
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January 1992 |
Stochastic Simulation of Chemical Kinetics
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journal
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May 2007 |
Electrostatic Influence on the Kinetics of Ligand Binding to Acetylcholinesterase
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journal
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September 1997 |
Acetylcholinesterase: electrostatic steering increases the rate of ligand binding
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journal
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January 1993 |
Rapid binding of a cationic active site inhibitor to wild type and mutant mouse acetylcholinesterase: Brownian dynamics simulation including diffusion in the active site gorge
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journal
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December 1998 |
Brownian dynamics of cytochrome c and cytochrome c peroxidase association
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journal
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July 1988 |
A Lattice Relaxation Algorithm for Three-Dimensional Poisson-Nernst-Planck Theory with Application to Ion Transport through the Gramicidin A Channel
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journal
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February 1999 |
Analysis of Synaptic Transmission in the Neuromuscular Junction Using a Continuum Finite Element Model
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journal
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October 1998 |
Smoothed particle hydrodynamics non-Newtonian model for ice-sheet and ice-shelf dynamics
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journal
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June 2013 |
Conformation gating as a mechanism for enzyme specificity
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journal
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August 1998 |
On the calculation of diffusive reaction rates using Brownian dynamics simulations
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journal
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March 1990 |
Divergent Structure–Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors
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journal
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September 2013 |
Electrostatics of nanosystems: Application to microtubules and the ribosome
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journal
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August 2001 |
Potential theory, path integrals and the Laplacian of the indicator
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journal
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November 2012 |