Robert C. Harris

发表

Features of CPB: A Poisson–Boltzmann solver that uses an adaptive cartesian grid

Marcia O. Fenley, Robert C. Harris, Travis Mackoy, 2015, J. Comput. Chem..

From data to probability densities without histograms

Bernd A. Berg, Robert C. Harris, B. Berg, 2007, Comput. Phys. Commun..

Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points

Nobuyuki Matubayasi, Ryosuke Ishizuka, Ronald M. Levy, 2017, J. Comput. Chem..

Solvation free energies of alanine peptides: the effect of flexibility.

Robert C. Harris, H. Kokubo, D. Asthagiri, 2013, The journal of physical chemistry. B.

Solvation Thermodynamics of Oligoglycine with Respect to Chain Length and Flexibility.

Robert C. Harris, Justin A. Drake, B. Pettitt, 2016, Biophysical journal.

Problems of Robustness in Poisson–Boltzmann Binding Free Energies

Robert C. Harris, M. O. Fenley, Travis Mackoy, 2015, Journal of chemical theory and computation.

Examining the assumptions underlying continuum-solvent models.

Robert C. Harris, B. Pettitt, Bernard Pettitt, 2015, Journal of chemical theory and computation.

Multibody correlations in the hydrophobic solvation of glycine peptides.

Robert C. Harris, Justin A. Drake, B. Pettitt, 2014, The Journal of chemical physics.

GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH Simulations

Robert C. Harris, Jana K. Shen, Yandong Huang, 2019, J. Chem. Inf. Model..

Comparing the Poisson-Boltzmann Equation to Alternative Electrostatic Theories and Improving Stochastic Techniques for Implicit Solvent Models

Robert C. Harris, 2017 .

Numerical Optimization of a Walk-on-Spheres Solver for the Linear Poisson-Boltzmann Equation

Michael Mascagni, Marcia O. Fenley, Robert C. Harris, 2013 .

Numerical Difficulties Computing Electrostatic Potentials Near Interfaces with the Poisson-Boltzmann Equation.

Robert C. Harris, A. Boschitsch, M. O. Fenley, 2017, Journal of chemical theory and computation.

Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitors

Robert C. Harris, Jana K. Shen, Jack A. Henderson, 2020, The Journal of chemical physics.

Sensitivities to parameterization in the size-modified Poisson-Boltzmann equation.

Robert C. Harris, A. Boschitsch, M. O. Fenley, 2014, The Journal of chemical physics.

Revisiting the association of cationic groove-binding drugs to DNA using a Poisson-Boltzmann approach.

B Jayaram, Robert C. Harris, Robert C Harris, 2010, Biophysical journal.

Opposites Attract: Shape and Electrostatic Complementarity in Protein-dna Complexes 3.1 Introduction

Robert C. Harris, R. Rohs, Darui Xu, 2022 .

Reconciling the understanding of ‘hydrophobicity’ with physics-based models of proteins

Robert C. Harris, B. Pettitt, 2016, Journal of physics. Condensed matter : an Institute of Physics journal.

Protein collapse driven against solvation free energy without H‐bonds

Robert C. Harris, D. Karandur, B. Pettitt, 2016, Protein science : a publication of the Protein Society.

Effects of geometry and chemistry on hydrophobic solvation

Robert C. Harris, B. Pettitt, R. Harris, 2014, Proceedings of the National Academy of Sciences.

Understanding the physical basis of the salt dependence of the electrostatic binding free energy of mutated charged ligand-nucleic acid complexes.

Robert C. Harris, Robert C Harris, Alexander H Boschitsch, 2011, Biophysical chemistry.

Comparing the Predictions of the Nonlinear Poisson-Boltzmann Equation and the Ion Size-Modified Poisson-Boltzmann Equation for a Low-Dielectric Charged Spherical Cavity in an Aqueous Salt Solution.

Robert C. Harris, Robert C Harris, Alexander H Boschitsch, 2010, Journal of chemical theory and computation.

How Ligand Protonation State Controls Water in Protein-Ligand Binding.

Robert C. Harris, Jana K. Shen, Jack A. Henderson, 2018, The journal of physical chemistry letters.

Predicting Reactive Cysteines With Implicit-Solvent Based Continuous Constant pH Molecular Dynamics in Amber.

Robert C. Harris, Jana K. Shen, Ruibin Liu, 2020, Journal of chemical theory and computation.

Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking and Analysis

Robert C. Harris, Robert C Harris, Jana K. Shen, 2018, J. Chem. Inf. Model..

Accuracy Comparison of Generalized Born Models in the Calculation of Electrostatic Binding Free Energies.

Robert C. Harris, A. Onufriev, M. O. Fenley, 2018, Journal of chemical theory and computation.

Influence of Grid Spacing in Poisson-Boltzmann Equation Binding Energy Estimation.

Robert C. Harris, Robert C Harris, Alexander H Boschitsch, 2013, Journal of chemical theory and computation.

A Stochastic Solver of the Generalized Born Model

Robert C. Harris, M. O. Fenley, Travis Mackoy, 2013 .