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Macromolecules
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January 20, 2025
Structural and Electronic Properties of Poly(ethylene terephthalate) (PET) from Polarizable Molecular Dynamics Simulations
Marcelo D Polêto, Justin A Lemkul
Journal of Computational Chemistry
|
April 23, 2022
TUPÃ: Electric field analyses for molecular simulations
Marcelo 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-Quadruplexes
Marcelo 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-Quadruplexes
Marcelo D Polêto, Justin A Lemkul
Communications Chemistry
|
April 6, 2022
Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force Fields
Marcelo 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> Modifications
Marcelo 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 Everyone
Pablo 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 trajectories
Marcelo 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 simulations
Nina M Fischer, Marcelo D Polêto, Jakob Steuer, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Macromolecules
|
January 20, 2025
Structural and Electronic Properties of Poly(ethylene terephthalate) (PET) from Polarizable Molecular Dynamics Simulations
Marcelo D Polêto, Justin A Lemkul
Journal of Computational Chemistry
|
April 23, 2022
TUPÃ: Electric field analyses for molecular simulations
Marcelo 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-Quadruplexes
Marcelo 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-Quadruplexes
Marcelo D Polêto, Justin A Lemkul
Communications Chemistry
|
April 6, 2022
Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force Fields
Marcelo 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> Modifications
Marcelo 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 Everyone
Pablo 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 trajectories
Marcelo 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 simulations
Nina M Fischer, Marcelo D Polêto, Jakob Steuer, et al.
Page
of 3