Le programme de recherche PIRAMID organise une conférence :
« Challenges in Computational Ensymology »
Le jeudi 18 juillet 2019, à 10h au Laboratoire CEISAM, salle Marie Curie, Faculté des Sciences et Techniques par Pedro Alexandrino Fernandes, de l’Université de Porto au Portugal.
This talk will focus in the study of enzyme reaction mechanisms with computational QM/MM methods. The relationship between enzyme rate and enzyme dynamics/flexibility will be analysed in detail. The consequences of enzyme flexibility on the specific chemical pathway that is followed will be addressed as well. An example of « chemical disorder »-multiple reaction mechanisms for the same enzymewith the same substrate-will be discussed. Overall, the talk tries to shed some light into the relationship between enzymatic conformational diversity, reaction rate and chemicalmechanism