Victor Guallar

Victor Guallar is an ICREA Research Professor and Group Leader of the Electronic and Atomic Protein Modelling group at the Barcelona Supercomputing Center, where his research focuses on computational approaches to understand and engineer biological systems and accelerate drug discovery. With a background in Chemistry, Physical Chemistry and Biochemistry and Molecular Biophysics, Victor has extensive expertise in molecular modelling, molecular dynamics, machine learning and physics-based approaches to rational drug design. His research explores how computational methods can provide deeper insight into protein–ligand interactions, target flexibility and molecular recognition, while enabling the design and optimisation of novel therapeutic molecules. He has published more than 200 scientific papers and trained numerous researchers throughout his academic career, contributing to the development of computational methodologies that bridge fundamental biophysics with practical applications in drug discovery.