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Marcelo D Polêto

Showing results (1-10 of 24) with videos related to

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Macromolecules|January 20, 2025
Structural and Electronic Properties of Poly(ethylene terephthalate) (PET) from Polarizable Molecular Dynamics SimulationsMarcelo D Polêto, Justin A Lemkul
Journal of Computational Chemistry|April 23, 2022
TUPÃ: Electric field analyses for molecular simulationsMarcelo D Polêto, Justin A Lemkul
Biorxiv : the Preprint Server for Biology|August 30, 2023
Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-QuadruplexesMarcelo D Polêto, Justin A Lemkul
Journal of Chemical Information and Modeling|October 17, 2023
Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-QuadruplexesMarcelo D Polêto, Justin A Lemkul
Communications Chemistry|April 6, 2022
Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force FieldsMarcelo D Polêto, Justin A Lemkul
Living Journal of Computational Molecular Science|August 22, 2025
Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0]Haley M Michel, Marcelo D Polêto, Justin A Lemkul
Biochemistry|June 24, 2024
Structural Dynamics of the Methyl-Coenzyme M Reductase Active Site Are Influenced by Coenzyme F<sub>430</sub> ModificationsMarcelo D Polêto, Kylie D Allen, Justin A Lemkul
Journal of Chemical Information and Modeling|October 1, 2021
Making it Rain: Cloud-Based Molecular Simulations for EveryonePablo R Arantes, Marcelo D Polêto, Conrado Pedebos, et al.
Bioinformatics (Oxford, England)|February 28, 2020
ConfID: an analytical method for conformational characterization of small molecules using molecular dynamics trajectoriesMarcelo D Polêto, Bruno I Grisci, Marcio Dorn, et al.
Nucleic Acids Research|May 3, 2018
Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulationsNina M Fischer, Marcelo D Polêto, Jakob Steuer, et al.
Pageof 3

Showing results (1-10 of 24) with videos related to

Sort By:
Pageof 3
Macromolecules|January 20, 2025
Structural and Electronic Properties of Poly(ethylene terephthalate) (PET) from Polarizable Molecular Dynamics SimulationsMarcelo D Polêto, Justin A Lemkul
Journal of Computational Chemistry|April 23, 2022
TUPÃ: Electric field analyses for molecular simulationsMarcelo D Polêto, Justin A Lemkul
Biorxiv : the Preprint Server for Biology|August 30, 2023
Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-QuadruplexesMarcelo D Polêto, Justin A Lemkul
Journal of Chemical Information and Modeling|October 17, 2023
Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-QuadruplexesMarcelo D Polêto, Justin A Lemkul
Communications Chemistry|April 6, 2022
Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force FieldsMarcelo D Polêto, Justin A Lemkul
Living Journal of Computational Molecular Science|August 22, 2025
Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0]Haley M Michel, Marcelo D Polêto, Justin A Lemkul
Biochemistry|June 24, 2024
Structural Dynamics of the Methyl-Coenzyme M Reductase Active Site Are Influenced by Coenzyme F<sub>430</sub> ModificationsMarcelo D Polêto, Kylie D Allen, Justin A Lemkul
Journal of Chemical Information and Modeling|October 1, 2021
Making it Rain: Cloud-Based Molecular Simulations for EveryonePablo R Arantes, Marcelo D Polêto, Conrado Pedebos, et al.
Bioinformatics (Oxford, England)|February 28, 2020
ConfID: an analytical method for conformational characterization of small molecules using molecular dynamics trajectoriesMarcelo D Polêto, Bruno I Grisci, Marcio Dorn, et al.
Nucleic Acids Research|May 3, 2018
Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulationsNina M Fischer, Marcelo D Polêto, Jakob Steuer, et al.
Pageof 3