Marcelo Polêto
Assistant Professor at Universidade Federal de Viçosa
Minas Gerais, Brazil
Summary
👤
Senior🎓
Top SchoolMarcelo Polêto is an assistant professor and computational biochemist with nine years of experience applying molecular dynamics, polarizable force fields, and enhanced sampling methods to enzyme engineering for sustainability. He is the main developer of TUPÃ, an open-source tool for analyzing intrinsic electric fields in molecular simulations, reflecting a strong mix of software engineering and domain expertise. His career spans postdoctoral and research roles in Brazil and the US, including Virginia Tech and USP, where he combined HPC and Python-driven tooling to push methodological advances. Marcelo’s work bridges fundamental computational chemistry and practical enzyme design, and he brings a global perspective shaped by time at Uppsala University and collaborations across international labs.
9 years of coding experience
7 years of employment as a software developer
Bachelor of Biochemistry, Biochemistry, Bachelor of Biochemistry, Biochemistry at Universidade Federal de ViçosaDoctor of Philosophy - PhD, Cell and Molecular Biology - Computational Chemistry, Doctor of Philosophy - PhD, Cell and Molecular Biology - Computational Chemistry at Federal University of Rio Grande do SulMolecular Biotechnology, Molecular Biotechnology at Uppsala University
English, Portuguese
Github Skills (35)
simulation10
molecular-simulation10
simulations10
dynamics10
tup10
python9
computational-chemistry9
molecular-dynamics-simulation9
science9
binder9
cuda8
high-performance8
harmonic8
mdanalysis8
sampling7
Programming languages (5)
Github contributions (5)
mdpoleto/tupa
Nov 2021 - Jan 2023
TUPÃ was developed to analyze electric field properties in molecular simulations
Contributions:7 releases, 171 commits, 12 PRs in 1 year 2 months
pythonpropertiessimulationssimulationmolecular
mdpoleto/FF_parametrization
Nov 2019 - Jan 2024
Contributions:3 pushes, 1 branch in 4 years 2 months
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