Victor Guallar

ICREA Professor

Barcelona Supercomputing Center & Nostrum Biodiscovery

Short Biography

An ICREA Professor at the Barcelona Supercomputing Center (BSC), Dr. Guallar completed his PhD in theoretical chemistry between University Autonomous of Barcelona and UC Berkeley. After three years as a postdoctoral researcher at Columbia University, he was appointed assistant professor at Washington University School of Medicine, before moving his group to BSC in 2006. His laboratory has grown considerably since developing important contributions in computational biophysics, such as the protein-ligand modeling software PELE, and biochemistry, including computational algorithms for enzyme engineering and the introduction of the first PluriZyme (enzyme with multiple actives sites).

Prof. Guallar has been awarded several important research projects, including the award of a prestigious advanced ERC grant. His lab has produced over 200 papers in international journals and completed 25 PhD thesis.

Prof. Guallar is co-founder of BSC’s first spin off, Nostrum Biodiscovery, a biotech enterprise created in 2016 which aims to collaborate with companies for the development of drugs and molecules of biotechnological interest.

Presentation Topic: State of the art computational modelling allows today for efficient ligase and molecular glue screening

• AI Protein Language and biophysical modelling speak ligase dialect, and can rationally, efficiently and quickly find multiple ligases interacting with a given target

• Binary complexes, from structural modelling open the door to rationally design/screen molecular glues

• Novel AI methods allow for such screening techniques even with disordered proteins as targets