Program
Tuesday, 26/11/2019
Workshop venue: Rotunda (Room 301), JSC Building (16.4)
08:45 | Transfer from hotel to FZJ (for speakers) |
09:00 - 09:30 | Registration |
Session 1 Chair: Paolo Carloni | |
09:30 - 10:30 | Keynote Lecture Michael Klein (Temple University, Philadelphia, USA) Wetting-Dewetting Transitions and Nature's Way of Sensing Pain |
10:30 - 11:00 | Bert de Groot (MPI for Biophysical Chemistry, Gottingen) The dynamics of permeation, selectivity and gating in potassium channels |
11:00 - 11:30 | Jan-Philipp Machtens (Forschungszentrum Jülich) Structural mechanisms of Na+: substrate coupling in glutamate transporters |
11:30 - 12:00 | Coffee break |
Session 2 Chair: Mercedes Alfonso-Prieto | |
12:00 - 12:30 | Christoph Fahlke (Forschungszentrum Jülich) Molecular physiology and pathophysiology of K+ coupling in glutamate transporter |
12:30 - 13:00 | Andrew Plested (Humboldt-Universität, Berlin) AMPA Receptors: from structure to synapse |
13:00 - 14:00 | Buffet Lunch |
14:00 - 15:00 | Poster session |
Session 3 Chair: Christoph Fahlke | |
15:00 - 15:30 | Jana Kusch (Jena University) Studying structure-function relationships in HCN pacemaker channels |
15:30 - 16:00 | Holger Gohlke (Heinrich-Heine-Universität Düsseldorf) Template- and coevolution-based protein structure prediction using deep neural networks |
16:00 - 16:30 | Han Sun (Leibniz-FMP, Berlin) Dynamics of ion permeation in non-selective cation channels |
16:30 - 17:00 | Coffee break |
Session 4 Chair: Tim Clark | |
17:00 - 17:30 | Patrick Marcinek (Leibniz-LSB@TUM, Munich) A receptor homology/QSAR model-guided exploration of the OR5K1/alkylpyrazines relationship |
17:30 - 18:00 | Maik Behrens (Leibniz-LSB@TUM, Munich) Human bitter taste receptors – the other GPCRs |
18:00 - 18:30 | Mercedes Alfonso-Prieto (Forschungszentrum Jülich) The bitter side of sweet: multiscale simulations of the bitter taste receptor TAS2R16 |
18:30 - 19:00 | Vania Calandrini (Forschungszentrum Jülich) Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor–Ligand Complexes |
19:00 | Transfer to Hotel (for speakers) |
20:00 - 21:30 | Conference Dinner for all speakers |
Wednesday, 27/11/2019
Workshop venue: Lecture room 2009, Jülich GRS Building (16.15)
07:45 | Transfer from hotel to FZJ (for speakers) |
Session 5 Chair: Antonella di Pizio | |
08:30 - 09:00 | Tim Clark (Erlangen University) Binding sites, binding energies and activation characterization of Class A GPCRs |
09:00 - 09:30 | Peter Kolb (Marburg University) Utilizing different GPCR conformations for structure-based ligand design |
09:30 - 10:00 | Riccardo Capelli (Politecnico di Torino, Turin, Italy) Ligand unbinding from the M2 muscarinic receptor: Uncovering molecular recognition exploiting dimensionality reduction and enhanced sampling |
10:00 - 10:30 | Coffee break |
Session 6 Chair: Bert de Groot | |
10:30 - 11:00 | Marcel Bermudez (Freie Universität, Berlin) Dynamic interaction pattern for mechanistic insights in GPCR modulation |
11:00 - 11:30 | Giulia Rossetti (Forschungszentrum Jülich) Membrane effects on Protein Dynamics and Pharmacology |
11:30 - 12:00 | Alejandro Giorgetti (University of Verona & FZ Jülich) A computational platform for structural systems biology |
12:00 - 13:00 | Buffet lunch |
Session 7 Chair: Mike Klein | |
13:00 - 14:00 | Keynote Lecture Thomas Beck (University of Cincinnati) The CLC chloride channel/transporter family as a challenging laboratory for developing molecular interaction models |
14:00 - 14:30 | Daria Kokh (Heidelberg Institute for Theoretical Studies) Exploring dynamics and kinetics of ligand unbinding in GPCRs |
14:30 - 15:00 | Paolo Carloni and Antonella Di Pizio Concluding remarks |
15:30 | Transfer to Jülich train station (for speakers) |
Last updated: 25 Nov 2019