Dr. Clauber Henrique Souza da Costa
Clauber’s research spans computational enzyme mechanisms and viral protein dynamics, including QM/MM studies of cysteine proteases (cruzain, a Chagas disease target), conformational dynamics of SARS-CoV-2 spike protein variants, and molecular dynamics of cutinases for plastic biodegradation.
Interests
- Enzyme Mechanisms
- Viral Protein Dynamics
- Cysteine Proteases
- Molecular Dynamics Simulations
- QM/MM Simulations
Education
- PhD in Chemistry
Federal University of Pará (UFPA), Brazil - MSc in Medicinal Chemistry and Molecular Modeling
Federal University of Pará (UFPA), Brazil - BSc in Chemistry
Federal Institute of Pará (IFPA), Brazil
Publications
(2025).
Conformational dynamics and binding interactions of SARS-CoV-2 spike protein variants: Omicron, XBB.1.9.2, and EG.5.
Journal of Chemical Information and Modeling, 65(14), 7651-7667.
(2025).
Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease.
Protein Science, 34(10), e70283.
(2024).
Exploring the reaction mechanism of polyethylene terephthalate biodegradation through QM/MM approach.
The Journal of Physical Chemistry B, 128(31), 7486-7499.
(2024).
Exploring the Structural and Dynamic Properties of a Chimeric Glycoside Hydrolase Protein in the Presence of Calcium Ions.
International Journal of Molecular Sciences, 25(22), 11961.
(2024).
Thermostability Enhancement of GH62 alpha-l-Arabinofuranosidase by Directed Evolution and Rational Design.
Journal of Agricultural and Food Chemistry, 72(8), 4225-4236.
Prof. Dr. Munir Salomão Skaf
Full Professor & Principal Investigator
Full Professor at IQ Unicamp working on computational biophysical chemistry, molecular dynamics simulations, and theoretical chemistry.