Informations générales
Intitulé de l'offre : PhD student in computational chemistry (M/W) (H/F)
Référence : UPR9080-ELIDUB-003
Nombre de Postes : 1
Lieu de travail : PARIS 05
Date de publication : vendredi 12 mai 2023
Type de contrat : CDD Doctorant/Contrat doctoral
Durée du contrat : 36 mois
Date de début de la thèse : 1 septembre 2023
Quotité de travail : Temps complet
Rémunération : 2 135,00 € gross monthly
Section(s) CN : Physical chemistry, theoretical and analytic
Description du sujet de thèse
The catalytic activity of ribozymes depends on the nature of the divalent ions present. This project aims to rationalize at the molecular level the origin of this ion effect, using classical and mixed quantum/classical molecular dynamics simulations, augmented by machine learning corrections. A challenge will be the development of the procedure for exploring the reaction landscape, the implementation of the correction strategy, all coupled with the use of advanced sampling methods.
Contexte de travail
The Institute of Physical and Chemical Biology offers an exceptional environment for early career scientists, with a dynamic international exposure animated by regular seminars and meetings. The Theoretical Biochemistry Laboratory (TBL) is internationally recognized for the development and application of computational methodologies to solve biological problems. The Theoretical Biochemistry Laboratory houses about 15 permanent staff and as many students, working on various topics in chemistry and theoretical biophysics.
Contraintes et risques
N/A