10:00 - 12:00
Sat-S11
Computation approaches for advancing research in the chemical senses
Goethe Hall
Chair/s:
Antonella Di Pizio, Sébastien Fiorucci
Computational approaches are widely used to get insights into the chemistry and biology of chemosensation. The ECRO Special Interest Group Computational Chemosensation aims to gather researchers working in computational chemosensation, to facilitate their interaction and advance computational techniques for chemical senses, but also promote the potential of computational works to promote collaborations with experimentalists. The proposed symposium is the first initiative of the group and aims to highlight computationally guided advancements in chemosensation, ranging from machine learning based predictors, to the use of computer-aided drug design tools for ligand discovery, to the multiscale simulations of chemosensory receptors, to network analyses of proteins and signaling events. Works on both taste and smell will be presented in the symposium. We expect that bringing together computational researchers from different fields will provide stimulating and fruitful discussions about future perspectives. Moreover, during the symposium, the ECRO special interest group will be introduced to the audience.
Sat-S11-001
Neural networks learn a map of odor that achieves human-level performance at describing odor character
Emily Mayhew 1, 2, Kelsie Little 1, Matthew Andres 1, Britney Nguyen 1, Jane Parker 3, Richard Gerkin 4, Joel Mainland 1, 5

1 Monell Chemical Senses Center, 2 Michigan State University, 3 University of Reading, 4 Arizona State University, 5 University of Pennsylvania
Sat-S11-002
Odorant binding and receptor activation deciphered at the molecular level
Matej Hladiš, Jody Pacalon, Maxence Lalis, Sébastien Fiorucci, Jérémie Topin

Université Côte d'Azur
Sat-S11-003
Computational molecular interaction maps of signaling events within the olfactory epithelium
Federica Genovese 1, Shailendra Gupta 2, Suchi Smita 2, Dominique Fastus 2, Krishna P Singh 2, Matti Hoch 2, Olaf Wolkenhauer 2, 3, Antonella Di Pizio 3

1 Monell Chemical Senses Center, Philadelphia, USA, 2 Department of Systems Biology & Bioinformatics, University of Rostock, Rostock, Germany, 3 Leibniz Institute for Food Systems Biology at the Technical University of Munich, Freising, Germany
Sat-S11-004
Structural elucidation of mammalian odorant receptors
Claire A. de March 1, 2, Jeevan Tewari 1, Ning Ma 3, Christian Billesboelle 4, Wijnand Van Der Velden 3, Nagarajan Vaidehi 3, Aashish Manglik 4, Hiroaki Matsunami 1

1 Department of Molecular Genetics and Microbiology, Duke University Medical Center, Durham, NC, USA, 2 Unit in Biological Sciences and Biotechnologies, Nantes University, Nantes, France, 3 City of Hope, Department Computational and Quantitative Medicine, Beckman Research Institute, Duarte, CA, USA, 4 University of California San Francisco, Department of Pharmaceutical Chemistry, San Francisco, CA, USA
Sat-S11-005
The antagonists' challenge: finding new molecules for bitter taste receptor inhibition
Fabrizio Fierro 1, Lior Peri 1, Lukas Waterloo 2, Alina Tabor-Schkade 2, Tamir Dingjan 3, Eitan Margulis 1, Herald Hübner 2, Peter Gmeiner 2, Masha Niv 1

1 Hebrew University of Jerusalem, Faculty of Agriculture, Rehovot, Israel, 2 Friedrich-Alexander-Universität Erlangen-Nürnberg, Department of Chemistry and Pharmacy, Erlangen, Germany, 3 Weizmann Institute of Science, Department of Biomolecular Sciences, Rehovot, Israel