Marcelo Depólo Polêto

I hold a Bachelor's degree in Biochemistry from UFV (2015), including an exchange at Uppsala University under Prof. David van der Spoel (2013-2014). I completed my Ph.D. at UFRGS (2019) with Prof. Hugo Verli, specializing in molecular simulations and molecular recognition mechanisms. As a Research Associate in the Department of Biochemistry at Virginia Tech University, I worked with Prof. Justin Lemkul on developing polarizable CHARMM Drude force fields and their applications in molecular dynamics simulations and enhanced sampling methods. Currently, I work at the Biotechnology Department at the University of São Paulo (EEL-USP), where we pioneer computational studies of PET depolymerization using electronically polarizable molecular dynamics. My work focuses on deciphering catalytic mechanisms of PET hydrolases and LPMOs, engineering efficient enzymes, and quantifying PET decrystallization thermodynamics to enable sustainable plastic recycling solutions. For details: https://mdpoleto.github.io/ (Source: Lattes Curriculum)