Sérgio F. Sousa presented an oral communication entitled “Use of QM/MM Methods in Dissecting the Role Played by Different Amino Acid Residues in the Catalytic Mechanism of Plastic PET degrading Enzymes” at the 5th conference of Theory and Applications of Computational Chemistry (TACC) held on September 4-9, 2023 in Hokkaido University, Sapporo, Japan.
The conference series has been held every four years since 2004. TACC2023 follows the last conference (TACC2016) chaired by Prof. Michel Dupuis and held in Seattle. The conference discussed theoretical and computational methodologies in quantum chemistry, molecular mechanics, dynamics, and chemoinformatics together with their applications to catalytic reactions, materials sciences, and bioscience.
The event joined together more than 400 experts on theoretical and computational chemistry from around the world. Plenary lectures included contributions from Mark S. Gordon (Iowa State Univ., USA), David M. Leitner (Univ. Nevada, Reno, USA), Nancy Makri (Univ. Illinois, Urbana-Champaign, USA), Feliu Maseras (Inst. Catalonia Invest. Chem. (ICIQ), Spain) and Gustavo E. Scuseria (Rice Univ., USA).