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Charlles R A Abreu

Showing results (1-10 of 14) with videos related to

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The Journal of Chemical Physics|June 24, 2010
Isochronal sampling in non-Boltzmann Monte Carlo methodsCharlles R A Abreu
Journal of Chemical Theory and Computation|November 16, 2020
Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free EnergiesCharlles R A Abreu, Mark E Tuckerman
The Journal of Chemical Physics|March 24, 2019
Refinement of thermostated molecular dynamics using backward error analysisAna J Silveira, Charlles R A Abreu
The Journal of Chemical Physics|March 18, 2006
On the use of transition matrix methods with extended ensemblesFernando A Escobedo, Charlles R A Abreu
The Journal of Chemical Physics|October 2, 2017
Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid waterAna J Silveira, Charlles R A Abreu
The Journal of Chemical Physics|February 14, 2006
A general framework for non-Boltzmann Monte Carlo samplingCharlles R A Abreu, Fernando A Escobedo
Journal of Chemical Theory and Computation|June 5, 2025
Solute Tempered Adiabatic Free Energy Dynamics for Enhancing Conformational Space SamplingShitanshu Bajpai, Charlles R A Abreu, Nisanth N Nair, et al.
The Journal of Chemical Physics|July 17, 2023
An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitionsNawavi Naleem, Charlles R A Abreu, Krzysztof Warmuz, et al.
Journal of Chemical Theory and Computation|October 3, 2022
A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free EnergiesGabriela B Correa, Jéssica C S L Maciel, Frederico W Tavares, et al.
The Journal of Chemical Physics|September 11, 2023
Revisiting the pseudo-supercritical path method: An improved formulation for the alchemical calculation of solid-liquid coexistenceGabriela B Correa, Yong Zhang, Charlles R A Abreu, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|June 24, 2010
Isochronal sampling in non-Boltzmann Monte Carlo methodsCharlles R A Abreu
Journal of Chemical Theory and Computation|November 16, 2020
Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free EnergiesCharlles R A Abreu, Mark E Tuckerman
The Journal of Chemical Physics|March 24, 2019
Refinement of thermostated molecular dynamics using backward error analysisAna J Silveira, Charlles R A Abreu
The Journal of Chemical Physics|March 18, 2006
On the use of transition matrix methods with extended ensemblesFernando A Escobedo, Charlles R A Abreu
The Journal of Chemical Physics|October 2, 2017
Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid waterAna J Silveira, Charlles R A Abreu
The Journal of Chemical Physics|February 14, 2006
A general framework for non-Boltzmann Monte Carlo samplingCharlles R A Abreu, Fernando A Escobedo
Journal of Chemical Theory and Computation|June 5, 2025
Solute Tempered Adiabatic Free Energy Dynamics for Enhancing Conformational Space SamplingShitanshu Bajpai, Charlles R A Abreu, Nisanth N Nair, et al.
The Journal of Chemical Physics|July 17, 2023
An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitionsNawavi Naleem, Charlles R A Abreu, Krzysztof Warmuz, et al.
Journal of Chemical Theory and Computation|October 3, 2022
A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free EnergiesGabriela B Correa, Jéssica C S L Maciel, Frederico W Tavares, et al.
The Journal of Chemical Physics|September 11, 2023
Revisiting the pseudo-supercritical path method: An improved formulation for the alchemical calculation of solid-liquid coexistenceGabriela B Correa, Yong Zhang, Charlles R A Abreu, et al.
Pageof 2