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SELECTBIO Conferences Discovery Chemistry Congress

Holger Gohlke's Biography

Holger Gohlke, Professor, Heinrich-Heine-University Düsseldorf

Holger Gohlke studied chemistry at Technical University Darmstadt and applied computer science at Fernuniversität Hagen. He got his PhD from Philipps-University Marburg in 2000, working in the drug design and protein crystallography group of Prof. Gerhard Klebe. He then postdoced for two years at The Scripps Research Institute, La Jolla, CA, working with Prof. David Case on developing and evaluating computational biophysical methods to predict protein-protein interactions. In 2003, Holger Gohlke became assistant professor of molecular bioinformatics at Goethe University Frankfurt; in 2008, he was appointed professor of pharmaceutical and medicinal chemistry at Christian-Albrechts-University Kiel; in 2009, he was appointed professor of pharmaceutical and medicinal chemistry at Heinrich-Heine-University Düsseldorf. He was awarded the “Promotionspreis“ from Philipps-University Marburg (2003), the “Innovationspreis in Medizinischer und Pharmazeutischer Chemie” from the Gesellschaft Deutscher Chemiker and the Deutsche Pharmazeutische Gesellschaft (2005), the Hansch Award of the Cheminformatics and QSAR Society (2009) and a Novartis Chemistry Lectureship (2011). His current research focuses on the understanding, prediction, and modulation of interactions involving biological macromolecules from a theoretical perspective. His group applies and develops techniques grounded in bioinformatics, computational biology, and computational biophysics.

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Rigorous and Approximate Computation of Entropy Changes Upon Complex Formation

Tuesday, 13 March 2012 at 14:15

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Changes in the degrees of freedom of binding partners and solvent lead to entropic contributions to affinity. We show that rigorous Delta S calculations for protein-ligand complexes are doable but tedious. Alternatively, we introduce efficient Delta S-vib estimates obtained by rigidity theory.

Add to Calendar ▼2012-03-13 00:00:002012-03-14 00:00:00Europe/LondonDiscovery Chemistry CongressDiscovery Chemistry Congress in Munich, GermanyMunich,