Our next webinar in the DRIIMB series will be delivered by Prof. Alexandre Bonvin, Utrecht University.

Please click here to register!

Abstract:

Understanding the structure, interactions, and dynamics of biomolecular macromolecules is key to unravelling cellular processes and advancing drug discovery. Accurate modelling of these complexes benefits greatly from incorporating diverse sources of experimental or predictive information. To this end, we have developed HADDOCK (https://www.bonvinlab.org/software), a versatile integrative modelling platform available as a web service (https://wenmr.science.uu.nl). HADDOCK can seamlessly combine data from biochemical, biophysical, and bioinformatics approaches to improve both sampling and scoring of biomolecular assemblies. 
Over more than two decades of continuous development, we have also witnessed the transformative rise of AI in structure prediction. While AI has made remarkable progress, physics-based modelling remains essential, with many challenges still requiring their complementary strengths. In this talk, I will present recent advances in HADDOCK and showcase its applications, including examples where AI-generated predictions are combined with physics-based integrative modelling. In particular, I will highlight studies on antibody and nanobody–antigen complexes, demonstrating the synergy between AI and physics-based approaches. 

Speaker Bio:

Alexandre Bonvin is a professor of Computational Structural Biology and the scientific director of the Bijvoet Centre for Biomolecular Research at Utrecht University.

Bonvin researches how biomolecules interact with each other. Biomolecules such as proteins, nucleic acids and lipids are essential to all living organisms. In his research, Bonvin tries to uncover the social life of proteins, or how they recognise each other in order to carry out their work. The form of the proteins plays an important role in this, and these can only be researched using advanced computer models.

Computer models help develop new medicines

Bonvin’s computer models provide an insight into the various processes that take place within the body, in minute detail. In this way, his research is the start of a chain process which enables the targeted development of new medications. As the coordinator of the European WeNMR project (worldwide e-Infrastructure for NMR and structural biology), Bonvin also ensures that the latest computer models and technologies are made available to fellow researchers around the world. In this way, his fundamental research makes an important contribution to applied science.

More details can be found here.