The prediction of 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. We have developed for this purpose a versatile information-driven docking approach HADDOCK. HADDOCK can integrate a large variety of information derived from biochemical, biophysical or bioinformatics methods to enhance sampling, scoring, or both.
In this webinar I will
introduce the new 2.4 version of HADDOCK and its web portal supported by
European Open Science Cloud (EOSC)/EGI HTC resources. In particular I will
highlight the new options compared to the previous 2.2 version, and take you
through a guided tour of the portal, presenting some of the new features and
providing some tips on what to do and not do.
Alexandre Bonvin (1964) studied Chemistry at Lausanne University, Switzerland and obtained his PhD at Utrecht University in the Netherlands (1993). After two post-doc periods at Yale University (USA) and the ETHZ (CH) he joined Utrecht University in 1998 where he was appointed full professor of computational structural biology in 2009. In 2006, he received a prestigious VICI grant from the Dutch Research Council. He was director of chemical education from February 2009 until February 2012, vice head of the Chemistry Department from 2010 until April 2012 and since September 2019 Scientific Director of the Bijvoet Centre for Biomolecular Research. He is participating to several EU projects including the BioExcel Center of Excellence in Biomolecular Simulations and the European Open Science Cloud Hub project. His work has resulted in over 225 peer-reviewed publications.