Apresentação Pessoal

Sergio F. Sousa is a Computational (Bio)chemist specialized in Computational Enzymatic Catalysis (QM/MM), Docking, Virtual Screening, and Molecular Dynamics Simulations, with 153 publications in ISI Web of Science/Scopus journals (+ 11 book chapters + 14 Proceedings) and over 4800 citations in the field. He has supervised 5 PhD students as supervisor/co-supervisor, > 13 M.Sc students, and > 15 undergraduates. Presently, he is the supervisor or co-supervisor of 11 Ph.D. students and 6 M.Sc. Students.

He was awarded the Prémio de Estímulo à Investigação Gulbenkian 2009 for a Project entitled “Anti-target Docking: The Other Side of the Mirror”. He was also the Principal researcher in two projects focusing on the development of computational drug design methods: (1) “An innovative method to calculate drug-receptor binding free energies “PTDC/QUI-QUI/100372/2008”; (2) “Consensus Scoring – An Innovative Method to Find Leads for the Pharmaceutical Industry” (EXPL/QEQ-COM/1125/2013). He participated in 9 other projects as team member.

He was also awarded an FCT starting grant (IF2014), with a career project focusing on the development and application of computational tools for drug design and discovery, in the interface between theory and experiment.Recently, he was awarded a very competitive FCT CEEC Individual Research Grant (CEEC2020), for a career project focusing  on the development of biocatalysts for industrial applications.

He currently leads the BioSIM research group at the Faculty of Medicine, University of Porto, a group that aims to bridge the gap between theory and experiment by applying and developing state-of-the-art computational tools focusing on Enzymatic Catalysis and Drug Discovery.

In 2022 and 2023, he was listed among the world’s top 2% most cited researchers by the Stanford University Ranking. 

Áreas de Interesse

1. Physical sciences > Chemistry > Computational chemistry
2. Physical sciences > Chemistry > Reaction mechanisms and dynamics
3. Health sciences > Pharmacological sciences > Pharmacy
4. Natural sciences > Biological sciences > Biology > Computational biology