Dr. Alberto M. dos Santos

Jan 1, 2024
Dr. Alberto M. dos Santos

Former Postdoctoral Researcher

Alberto’s research focuses on computational studies of enzyme mechanisms, using molecular dynamics and QM/MM simulations to investigate how enzymes catalyze reactions on substrates of biotechnological interest, including glycoside hydrolases and cutinases.

Interests

  • Enzyme Mechanisms
  • Molecular Dynamics Simulations
  • Protein Dynamics
  • QM/MM Simulations

Education

  • PhD in Chemistry (in progress)
    Unicamp, Brazil

Publications

Clauber Henrique Souza da Costa, CAB de Freitas, Alberto M. dos Santos, Munir S. Skaf, et al. (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.

DOI

Alberto M. dos Santos, Clauber Henrique Souza da Costa, PHA Silva, Munir S. Skaf, J Lameira (2024). Exploring the reaction mechanism of polyethylene terephthalate biodegradation through QM/MM approach. The Journal of Physical Chemistry B, 128(31), 7486-7499.

DOI

Alberto M. dos Santos, Clauber Henrique Souza da Costa, M Martins, R Goldbeck, Munir S. Skaf (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.

DOI

M Martins, Alberto M. dos Santos, Clauber Henrique Souza da Costa, SW Canner, M Chungyoun, Munir S. Skaf, et al. (2024). Thermostability Enhancement of GH62 alpha-l-Arabinofuranosidase by Directed Evolution and Rational Design. Journal of Agricultural and Food Chemistry, 72(8), 4225-4236.

DOI

Prof. Dr. Munir Salomão Skaf
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.