Venue: Centre Broca, Basal Ganglia room
Victor Reys
Invited by Jonathan Elegheert (IINS)
Title
Synergies between physics-based and machine-learning methods for atomic-scale modelling of chemical and biomolecular interactions
Abstract
Cheminformatics and Bioinformatics tools can be wisely combined to produce hypotheses and understand the underlying mechanisms of interactions between chemical and biological entities. Completed with machine learning models to enhance physics-based predictions, the field has now reached an unprecedented level of accuracy, enabling to perform proteome-wide virtual screening campaigns, interatomic studies and decipher key molecular components involved in life at atomic scale.