October 19, 2017
Messeplatz 12, Basel, CH-4058, Switzerland
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X-Ray Crystallography: Structure Preparation, Electron Density and Solvent Analysis
The course will cover methods for evaluating, analyzing and refining protein models derived from X-ray
crystallographic data. Topics related to protein structure preparation and side-chain conformational analysis and
placement will be discussed. Visualization and interpretation of electron density maps for assessing protein models
will be described. The 3D-RISM method for predicting and refining the placement of solvent molecules in protein
models will also be presented.
Peptide Modeling, Conformational Searching and Docking
The course covers methods for analyzing and optimizing peptide-protein interactions in the active site. Topics related to peptide-protein structure preparation, peptide sequence optimization using natural and non-natural acids and conformational analysis will be discussed. Peptide-protein docking and protein-ligand interactions to analyze contact points will be described. The course will also cover advanced conformational searching using distance restraints.
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