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Daniel R Roe

Showing results (1-10 of 38) with videos related to

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Journal of Computational Chemistry|March 23, 2022
prepareforleap: An automated tool for fast PDB-to-parameter generationDaniel R Roe, Christina Bergonzo
The Journal of Chemical Physics|August 11, 2020
A protocol for preparing explicitly solvated systems for stable molecular dynamics simulationsDaniel R Roe, Bernard R Brooks
Journal of Computational Chemistry|December 10, 2023
MPI-parallelization of the grid inhomogeneous solvation theory calculationDaniel R Roe, Bernard R Brooks
Journal of Chemical Theory and Computation|November 20, 2015
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory DataDaniel R Roe, Thomas E Cheatham
Protein Science : a Publication of the Protein Society|November 16, 2022
Quantifying the effects of lossy compression on energies calculated from molecular dynamics trajectoriesDaniel R Roe, Bernard R Brooks
The Journal of Physical Chemistry. B|October 23, 2009
Structural basis of pathway-dependent force profiles in stretched DNADaniel R Roe, Anne M Chaka
Journal of Computational Chemistry|October 29, 2018
Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory dataDaniel R Roe, Thomas E Cheatham
Journal of Molecular Graphics & Modelling|January 14, 2021
Improving the speed of volumetric density map generation via cubic spline interpolationDaniel R Roe, Bernard R Brooks
Journal of Chemical Theory and Computation|March 20, 2015
Improved Generalized Born Solvent Model Parameters for Protein SimulationsHai Nguyen, Daniel R Roe, Carlos Simmerling
Journal of Molecular Biology|August 13, 2005
Folding cooperativity in a three-stranded beta-sheet modelDaniel R Roe, Viktor Hornak, Carlos Simmerling
Pageof 4

Showing results (1-10 of 38) with videos related to

Sort By:
Pageof 4
Journal of Computational Chemistry|March 23, 2022
prepareforleap: An automated tool for fast PDB-to-parameter generationDaniel R Roe, Christina Bergonzo
The Journal of Chemical Physics|August 11, 2020
A protocol for preparing explicitly solvated systems for stable molecular dynamics simulationsDaniel R Roe, Bernard R Brooks
Journal of Computational Chemistry|December 10, 2023
MPI-parallelization of the grid inhomogeneous solvation theory calculationDaniel R Roe, Bernard R Brooks
Journal of Chemical Theory and Computation|November 20, 2015
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory DataDaniel R Roe, Thomas E Cheatham
Protein Science : a Publication of the Protein Society|November 16, 2022
Quantifying the effects of lossy compression on energies calculated from molecular dynamics trajectoriesDaniel R Roe, Bernard R Brooks
The Journal of Physical Chemistry. B|October 23, 2009
Structural basis of pathway-dependent force profiles in stretched DNADaniel R Roe, Anne M Chaka
Journal of Computational Chemistry|October 29, 2018
Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory dataDaniel R Roe, Thomas E Cheatham
Journal of Molecular Graphics & Modelling|January 14, 2021
Improving the speed of volumetric density map generation via cubic spline interpolationDaniel R Roe, Bernard R Brooks
Journal of Chemical Theory and Computation|March 20, 2015
Improved Generalized Born Solvent Model Parameters for Protein SimulationsHai Nguyen, Daniel R Roe, Carlos Simmerling
Journal of Molecular Biology|August 13, 2005
Folding cooperativity in a three-stranded beta-sheet modelDaniel R Roe, Viktor Hornak, Carlos Simmerling
Pageof 4