About the Talk
Presenter
Prof. Dr. Alexandre M.J.J. Bonvin
Alexandre Bonvin (1964) studied Chemistry at the University of Lausanne, Switzerland, and received his PhD from Utrecht University, the Netherlands (1993). After two postdoctoral periods at Yale University (USA) and ETHZ (Switzerland) he joined Utrecht University in 1998 and was appointed professor of computational structural biology in 2009. In 2006 he received the prestigious VICI grant from the Dutch Research Council. He served as director of chemistry education from February 2009 to February 2012 and as vice-chair of the Chemistry Department from 2010 to April 2012, and has been scientific director of the Bijvoet Centre for Biomolecular Research since September 2019. He has taken part in many EU projects, including the BioExcel Centre of Excellence in Biomolecular Simulations and EGI-ACE. His work has appeared in more than 275 peer-reviewed publications.
Abstract
Predicting the quaternary structure of biomolecular macromolecules is of paramount importance for fundamental understanding of cellular processes and drug design. In the era of integrative structural biology, one way of increasing the accuracy of modelling methods used to predict the structure of biomolecular complexes is to include as much experimental or predictive information as possible in the process. To this end we have developed a versatile integrative modelling software called HADDOCK, accessible as a web service at https://wenmr.science.uu.nl. HADDOCK can integrate a variety of information derived from biochemical, biophysical or bioinformatics methods to enhance sampling, scoring, or both. In my talk I will highlight some recent developments around HADDOCK and illustrate the capabilities of the software with various examples, such as our work on modelling antibody–antigen interactions from sequence alone: a class of complexes that remains difficult to predict for AI-based methods such as AlphaFold2.
Date: May 17th, 2024 – 7:00 PM (GMT+3)
Venue: Zoom
Language: English
