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Daniel R Roe

Showing results (31-40 of 38) with videos related to

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Journal of Computer-Aided Molecular Design|May 10, 2012
Evaluation of DOCK 6 as a pose generation and database enrichment toolScott R Brozell, Sudipto Mukherjee, Trent E Balius, et al.
Living Journal of Computational Molecular Science|December 12, 2018
Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations [Article v1.0]Alan Grossfield, Paul N Patrone, Daniel R Roe, et al.
Journal of Chemical Theory and Computation|January 24, 2014
Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA TetranucleotideChristina Bergonzo, Niel M Henriksen, Daniel R Roe, et al.
Journal of Chemical Theory and Computation|October 29, 2024
modXNA: A Modular Approach to Parametrization of Modified Nucleic Acids for Use with Amber Force FieldsOlivia Love, Rodrigo Galindo-Murillo, Daniel R Roe, et al.
Living Journal of Computational Molecular Science|April 2, 2026
Quantifying Spatially Resolved Hydration Thermodynamics Using Grid Inhomogeneous Solvation Theory [Article v1.0]Valentin J Egger-Hoerschinger, Franz Waibl, Vjay Molino, et al.
Journal of Chemical Information and Modeling|July 29, 2025
Recent Developments in Amber Biomolecular SimulationsDavid A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Information and Modeling|October 8, 2023
AmberToolsDavid A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
The Journal of Physical Chemistry. B|September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and SpeedWonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.
Pageof 4

Showing results (31-40 of 38) with videos related to

Sort By:
Pageof 4
You have reached the last page of results.This site can display upto 38 results.
Journal of Computer-Aided Molecular Design|May 10, 2012
Evaluation of DOCK 6 as a pose generation and database enrichment toolScott R Brozell, Sudipto Mukherjee, Trent E Balius, et al.
Living Journal of Computational Molecular Science|December 12, 2018
Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations [Article v1.0]Alan Grossfield, Paul N Patrone, Daniel R Roe, et al.
Journal of Chemical Theory and Computation|January 24, 2014
Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA TetranucleotideChristina Bergonzo, Niel M Henriksen, Daniel R Roe, et al.
Journal of Chemical Theory and Computation|October 29, 2024
modXNA: A Modular Approach to Parametrization of Modified Nucleic Acids for Use with Amber Force FieldsOlivia Love, Rodrigo Galindo-Murillo, Daniel R Roe, et al.
Living Journal of Computational Molecular Science|April 2, 2026
Quantifying Spatially Resolved Hydration Thermodynamics Using Grid Inhomogeneous Solvation Theory [Article v1.0]Valentin J Egger-Hoerschinger, Franz Waibl, Vjay Molino, et al.
Journal of Chemical Information and Modeling|July 29, 2025
Recent Developments in Amber Biomolecular SimulationsDavid A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Information and Modeling|October 8, 2023
AmberToolsDavid A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
The Journal of Physical Chemistry. B|September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and SpeedWonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.
Pageof 4