Biomolecular SIMulations Research Group
Sérgio F. Sousa presented an oral communication entitled “Application of QM/MM Methods in Enzyme Bioengineering Efforts: Understanding PET Degrading Activity of PETases” at the XLVII International Congress of Theoretical Chemists of Latin …
Sérgio F. Sousa presented an oral communication entitled “Application of QM/MM Methods in the Study of the Enzyme Efficiency by PET Degrading Enzymes” at the ESPA2024 Meeting (Electronic Structure Principles and …
Sérgio F. Sousa presented an oral communication entitled “Probing the Role Played by Different Amino Acid Residues in the Catalytic Mechanism of Plastic PET Degrading Enzymes by QM/MM Methods” at the …
Sérgio F. Sousa presented an oral communication entitled “Application of QM/MM Methods in the Study of the Catalytic Mechanism of Enzymes for Industrial Application” at the XLVI International Congress of Theoretical Chemists …
Sérgio F. Sousa represented BioSIM at the “Multiscale Simulation of Photoresponsive Biological Systems” flagship workshop of CECAM, held in Tel Aviv, Israel between September 10-14th 2023. This workshop was organized …
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 …
Sérgio F. Sousa represented BioSIM at the Biogate International Conference in Istambul, Turkey on 19-20th August 2023. This event which took place at the Istanbul Technical University (ITU), included an …
Tatiana F. Vieira presented an oral communication at the InSilicoClub@UCIBIO, which took place online, on the 26th of July. The focus of the presentation was “Combining Specialized Virtual Screening Protocols …
Sérgio F. Sousa presented an invited plenary lecture entitled “Combining Biomolecular Simulations with Medicinal Chemistry: Challenges and Opportunities” at the 6th Symposium on Medicinal Chemistry of University of Minho. This …
Sérgio F. Sousa represented BioSIM at COST Action Meeting – CA21145 – EURESTOP, which took place in Brussels in June 13th. This gathering brought together experts from across Europe, united …