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Journal of Chemical Information and Modeling
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October 30, 2019
GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: p<i>K</i><sub>a</sub> Predictions with Single-pH Simulations
Robert C Harris, Jana Shen
Proceedings of the National Academy of Sciences of the United States of America
|
September 27, 2014
Effects of geometry and chemistry on hydrophobic solvation
Robert C Harris, B Montgomery Pettitt
Journal of Chemical Theory and Computation
|
November 18, 2015
Examining the assumptions underlying continuum-solvent models
Robert C Harris, B Montgomery Pettitt
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 3, 2016
Reconciling the understanding of 'hydrophobicity' with physics-based models of proteins
Robert C Harris, B Montgomery Pettitt
Journal of Chemical Information and Modeling
|
June 28, 2018
Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking and Analysis
Yandong Huang, Robert C Harris, Jana Shen
Journal of Chemical Theory and Computation
|
April 25, 2020
Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber
Robert C Harris, Ruibin Liu, Jana Shen
Journal of Chemical Theory and Computation
|
November 4, 2015
Problems of robustness in Poisson-Boltzmann binding free energies
Robert C Harris, Travis Mackoy, Marcia O Fenley
Protein Science : a Publication of the Protein Society
|
July 16, 2015
Protein collapse driven against solvation free energy without H-bonds
Deepti Karandur, Robert C Harris, B Montgomery Pettitt
The Journal of Chemical Physics
|
December 16, 2014
Multibody correlations in the hydrophobic solvation of glycine peptides
Robert C Harris, Justin A Drake, B Montgomery Pettitt
Journal of Chemical Theory and Computation
|
September 3, 2013
Influence of Grid Spacing in Poisson-Boltzmann Equation Binding Energy Estimation
Robert C Harris, Alexander H Boschitsch, Marcia O Fenley
Page
of 4
Search research articles
Search
Showing results (1-10 of 35) with videos related to
Sort By:
Page
of 4
Journal of Chemical Information and Modeling
|
October 30, 2019
GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: p<i>K</i><sub>a</sub> Predictions with Single-pH Simulations
Robert C Harris, Jana Shen
Proceedings of the National Academy of Sciences of the United States of America
|
September 27, 2014
Effects of geometry and chemistry on hydrophobic solvation
Robert C Harris, B Montgomery Pettitt
Journal of Chemical Theory and Computation
|
November 18, 2015
Examining the assumptions underlying continuum-solvent models
Robert C Harris, B Montgomery Pettitt
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 3, 2016
Reconciling the understanding of 'hydrophobicity' with physics-based models of proteins
Robert C Harris, B Montgomery Pettitt
Journal of Chemical Information and Modeling
|
June 28, 2018
Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking and Analysis
Yandong Huang, Robert C Harris, Jana Shen
Journal of Chemical Theory and Computation
|
April 25, 2020
Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber
Robert C Harris, Ruibin Liu, Jana Shen
Journal of Chemical Theory and Computation
|
November 4, 2015
Problems of robustness in Poisson-Boltzmann binding free energies
Robert C Harris, Travis Mackoy, Marcia O Fenley
Protein Science : a Publication of the Protein Society
|
July 16, 2015
Protein collapse driven against solvation free energy without H-bonds
Deepti Karandur, Robert C Harris, B Montgomery Pettitt
The Journal of Chemical Physics
|
December 16, 2014
Multibody correlations in the hydrophobic solvation of glycine peptides
Robert C Harris, Justin A Drake, B Montgomery Pettitt
Journal of Chemical Theory and Computation
|
September 3, 2013
Influence of Grid Spacing in Poisson-Boltzmann Equation Binding Energy Estimation
Robert C Harris, Alexander H Boschitsch, Marcia O Fenley
Page
of 4