• Le 18 juillet 2019
    Campus Lombarderie
    Faculté des Sciences
    Laboratoire CEISAM
    Salle Marie Curie
  • Le jeudi 18 juillet 2019 à 10h.
  • Plan d'accès

Conférence de Pedro Alexandrino Fernandes de l'Université de Porto, Portugal.

Conférence de Pedro Alexandrino Fernandes travaillant dans l'équipe "Theoretical Chemistry and Computational Biochemistry" de l'Université de Porto, Portugal.

Sa présentation a pour titre : "Challenges in Computational Enzymology".
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 enzyme with the same substrate- will be discussed. Overall, the talk tries to shed some light into the relationship between enzymatic conformational diversity, reaction rate and chemical mechanism.