Sobre

About Me¶

• PhD candidate in Biotechnology at the Paulista State University, Brazil.
• MSc in Biomaterials and Bioprocess Engineering at the Paulista State University, Brazil.
• Computer Engineering student, Virtual University of the State of São Paulo, Brazil.
• Bachelor's degree in Chemistry and Biological Sciences, Federal University of Minas Gerais, Brazil.
• Research Programs in Aerospace Technologies in the ​​Biotechnology at the Hardware BR Institute, Brazil.
• Working on Computational Biophysical Chemistry, specifically Molecular Dynamics Simulations applying in the area of ​​thermodynamics properties of biomolecules.
• Research on the behavior of biomolecules in ionic liquids.
• Investigation of enzymatic decarboxylation for the production of drop-in bio-hydrocarbons, using Molecular Dynamics for thermodynamic property.
• I welcome discussions, consultations and collaboration opportunities in the areas of computational chemistry and molecular dynamics simulations. Feel free to contact me or if you would like to discuss possible cooperations.

Contact¶

• Email: patrick.faustino@unesp.br
• X: @pkfaustino
• ORCID: 0000-0002-9323-2489

Computational Biophysical Chemistry Research Group¶

​The Computational Biophysical Chemistry Research Group operates at the interface between Physical Chemistry/Thermodynamics and Biochemistry, investigating — through Molecular Dynamics simulations, free energy methods, and polarizable force fields — the molecular mechanisms that govern the behavior of proteins, enzymes, and complex solvents.

Keywords: Computational Biophysical Chemistry; Molecular Dynamics Simulation; Biomolecular Thermodynamics; Free Energy Methods; Aqueous Two-Phase Systems; Ionic Liquids; Kirkwood–Buff Theory; Computational Biocatalysis; Sustainable Aviation Fuel (SAF); Fatty Acid Decarboxylases.

CNPq Brazil areas: Exact and Earth Sciences > Chemistry > Physical Chemistry > Molecular Thermodynamics / Computational Biophysical Chemistry

Workstation Home¶

• AMD Ryzen 9 5900XT (16/32) @ OC 4300 MHz with Water-Cooler 360 Kalkan and Corsair 4000D computer case; ASUS TUF Gaming X570 Plus; Corsair Dominator 2x16 GB DDR4 @ 3200 MT/s XMP2; MSI RTX 4070 Ti Gaming Trio X; Power Supply Energy Corsair RM1000e 1000 W.
• AMD Ryzen 7 2700X (8/16) @ OC 3400 MHz with Water-Cooler 240 Rise and Gamemax Fortress computer case; Biostar Racing X470GTA; Geil 2x16 GB DDR4 @ 3000 MT/s XMP2; AsRock RX 6600XT Challenger D; Power Supply Energy AeroCool KCAS 500 W.
• 51.4 TFLOPS Go!
• Software suite molecular dynamics: Gromacs 2026.x and OpenMM 8.x

Publications¶

• Master's Thesis: Dinâmica molecular da lipase em sistemas aquosos bifásicos baseados em líquidos iônicos
• PhD Seminar: Simulação de Biomoléculas: dinâmica molecular básica

Skills¶

How to cite¶

If this material was useful for your research or studies, please cite it as below (see also the repository's CITATION.cff):

FAUSTINO, P. A. S. Documentação sobre Química Biofísica Computacional. Zenodo, 2026. DOI: 10.5281/zenodo.22729510. Available at: https://doi.org/10.5281/zenodo.22729510.

License¶

This content is licensed under CC BY 4.0 (Creative Commons Attribution 4.0 International): you may share and adapt the material for any purpose, including commercially, as long as you give appropriate credit.