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HADDOCK Workshop on Information-driven Modeling of Biomolecular Complexes

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Dr. Alexandre Bonvin and Dr. Li Xue
Utrecht University, The Netherlands

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Abstract: The prediction of the quaternary structure of biomolecules of paramount importance for fundamental understanding of cellular processes as well as practical applications such as drug design. In the era of integrative structural biology, one way of increasing the accuracy of modeling 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 flexible information-driven docking software, HADDOCK that can integrate information derived from biochemical, biophysical or bioinformatics methods to enhance sampling, scoring, or both.

The information that can be integrated is quite diverse: among others interface restraints from NMR, mutagenesis experiments, or bioinformatics predictions and, recently, cryo-electron microscopy experiments. HADDOCK is one of the top docking programs. Dr. Bonvin and Dr. Li will offer a day-long workshop consisting of lectures and hands-on laboratory session to introduce researchers to HADDOCK. The workshop should be of interest to faculty, graduate students, and postdocs in Bioinformatics, Structural Biology, and related areas. The workshop is co-sponsored by the Center for Big Data Analytics and Discovery Informatics, the NIH-sponsored Biomedical Data Sciences Training Program, and the Huck Institutes of the Life Sciences at Pennsylvania State University. There is no cost for attending the workshop, but because of space constraints, pre-registration is required.

Dr. Alexandre Bonvin studied Chemistry at Lausanne University, Switzerland and obtained his PhD at Utrecht University in the Netherlands (1993). He received his postdoctoral training 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. Dr. Bonvin has led or participated in several EU projects. He has authored or co-authored over 200 peer-reviewed publications on various topics in computational structural biology that have collectively received over 13,000 citations.

Dr. Li Xue received her BE in Electrical Engineering from Yanshan University, and MS in Pattern Recognition and Artificial Intelligence from Shanghai Jiaotong University, and PhD. in Bioinformatics from Iowa State University in 2003, 2006, and 2012 respectively. She received her postdoctoral training at Iowa State University and Pennsylvania State University during 2012-2014. She is currently a Veni Research Fellow at Utrecht University. She has authored or co-authored 18 peer-reviewed publications on various topics in computational structural biology.

Friday, October 20, 2017, 8:30 AM to 4:30 PM

Room 205 Student Health Center


Dr. Vasant G. Honavar (vhonavar@ist.psu.edu)