Due to unforeseen problems with the ventilation system at the original venue we have moved the workshop to Realfagsbygget. See updated information on the venue here.
Knut will hold lectures on protein-ligand docking (day 3) as well as molecular dynamics simulations (day 5).
Assistant Professor Barry Grant. Department of Computational Medicine and Bioinformatics, University of Michigan, USA.
Barry is the main developer of the R-package Bio3D for analysis of protein structure, sequence and simulation data, and group leader at University of Michigan.
Barry’s research involves the use of computational approaches, based on both biophysics and bioinformatics, to study the structure, function and evolution of key biological macromolecules. His research group have a particularly interested in nature’s nanomachines: molecular motors and switches, which lie at the heart of important biological processes, from the division and growth of cells to the muscular movement of organisms. A major portion of our research is focused on deciphering how these fascinating proteins work, and how to manipulate them for industrial and medical advantage.
Read more at thegrantlab.org
Prof. Nathalie Reuter
We’re happy to announce that Prof. Nathalie Reuter will lecture at the course. The Reuter group, located at the Department of Molecular Biology, use a combination of computational and experimental methods to examine dynamic properties that allow proteins to selectively associate with cellular membranes, lipids or ligands, as well as the conservation of flexibility through evolution. Main methodologies includes computational tools such as normal modes analysis (NMA), molecular dynamics (MD) simulations, protein-ligand docking, and molecular modelling.
Professor Gerhard Wolber, Institute of Pharmacy, Freie Universität Berlin, Germany.
Gerhard is the founder of the company Inte:Ligand and the main developer of LigandScout for pharmacophore modeling. His main research deals with the in-silico prediction of biological effects of small organic molecules for drug design.
Molecular modeling. Using all different kinds of available and established molecular modeling methods like docking, similarity searches, homology modeling and molecular dynamics we try to identify novel hits and optimize lead structures.
Drug repurposing and activity profiling. Drug action is rarely explained by an interaction with one single biological target, but by hitting several targets and pathways. Instead of virtually screening a large amount of molecules against one single potential target, we screen with one single (or a few) molecules against a large set of models to better understand the activity profile of already existing drugs or newly discovered drug candidates.