EPFL BioEngineering Talks
Weekly BioEngineering Talks ( Lunch Provided)
INVITED SPEAKER:
Finding New Drugs in Trillions: ICM Docking, GPUs, Pocketome, and Design Strategy
Prof. Ruben Abagyan, University of California, San Diego on sabbatical at EPFL
Abstract:
Accurate docking and scoring of a flexible compound to the most suitable mutant, conformational and functional state of the primary target, and definition of essential selectivity and property requirements is the first step in structure-guided drug discovery. We will discuss ultra large docking screens and compound-growth strategies, and ways to dramatically accelerate algorithms using GPUs. Several applications of this pipeline to lead discovery projects in cancer and neurodegenerative diseases, with some in clinical trials, will be presented.
Bio:
Ruben Abagyan is Professor at the UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences and founder of MolSoft. He pioneered mathematical frameworks for protein folding and flexible ligand docking during his time at EMBL in Heidelberg. His career includes notable roles as tenured Associate Professor at NYU's Skirball Institute and Courant Institute of Mathematics, Director at Novartis Institute in La Jolla, and Professor at Scripps Research Institute. Recognized with the Princess Diana award for structure-based ligand discovery and other awards, he now leads research on drug discovery projects, Pocketome, 3D/AI/ML models for predictive pharmacology, and fast docking screens of ultra-large chemical spaces. With over 330 publications and patents, 50,000 citations, and an H-index of 105, he continues to advance methodology and collaborate with colleagues in computational science, biomedicine, and chemistry, to discover drug candidates.
STUDENT SPEAKER:
Challenging Anfinsen’s dogma with protein design
Christian Schellhaas, Correia Lab
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BioEngineering Talks mandatory EDBB Seminar Attendance (1st-Year PhD Students)
- Attendance sheet to print HERE
General information:
In-person attendance is preferred to support your fellow students. Zoom is mainly for students on remote campuses; please notify Fiorella Ghisays in advance and join using your full name.
If attending in person, have your sheet signed after the talk and keep the original, as no copy is retained.
Practical information
- Informed public
- Free
Organizer
- Institute of Bioengineering
Contact
- Fiorella Ghisays, Institute of Bioengineering