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PocketPicker: analysis of ligand binding-sites with shape descriptors

Martin Weisel 0 Ewgenij Proschak 0 Gisbert Schneider 0 0 Address: Johann Wolfgang Goethe-Universitt , Beilstein Endowed Chair for Cheminformatics, Institut fr Organische Chemie und Chemische ... Martin Weisel. This project was based on the idea and realized under the guidance and consultation of Gisbert Schneider. Additional material Additional file 1 Four complexed and three unbound structures

Predicting olfactory receptor neuron responses from odorant structure

Background Olfactory receptors work at the interface between the chemical world of volatile molecules and the perception of scent in the brain. Their main purpose is to translate chemical space into information that can be processed by neural circuits. Assuming that these receptors have evolved to cope with this task, the analysis of their coding strategy promises to yield valuable ...