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Marcelo D. Polêto, Ph.D.

Affiliations: 
2020- Biochemistry Department Virginia Polytechnic Institute and State University, Blacksburg, VA, United States 
Area:
Molecular dynamics, Force fields, Computational Biophysics
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"Marcelo Polêto"
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Parents

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Hugo Verli grad student 2015-2019 Universidade Federal do Rio Grande do Sul
Justin Alan Lemkul post-doc 2020- Virginia Tech

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Publications

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Polêto MD, Lemkul JA. (2024) Structural and Electronic Properties of Poly(ethylene terephthalate) (PET) from Polarizable Molecular Dynamics Simulations. Macromolecules. 58: 403-414
Polêto MD, Allen KD, Lemkul JA. (2024) Structural Dynamics of the Methyl-Coenzyme M Reductase Active Site Are Influenced by Coenzyme F Modifications. Biochemistry
Polêto MD, Lemkul JA. (2023) Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes. Journal of Chemical Information and Modeling. 63: 6851-6862
Polêto MD, Lemkul JA. (2023) Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes. Biorxiv : the Preprint Server For Biology
Giacon N, Lo Cascio E, Davidson DS, et al. (2023) Monomeric and dimeric states of human ZO1-PDZ2 are functional partners of the SARS-CoV-2 E protein. Computational and Structural Biotechnology Journal. 21: 3259-3271
Polêto MD, Lemkul JA. (2022) TUPÃ: Electric field analyses for molecular simulations. Journal of Computational Chemistry
Polêto MD, Lemkul JA. (2022) Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force Fields. Communications Chemistry. 5
Polêto MD, Lemkul JA. (2022) Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force Fields. Communications Chemistry. 5
Polêto MD, Lemkul JA. (2022) Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force Fields. Communications Chemistry. 5
Polêto MD, Lemkul JA. (2022) Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force Fields. Communications Chemistry. 5
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