Program
February 26
13:30 | Visitor Registration at the main entrance of FZJ to access the research center |
14:00 | Registration for the workshop and coffee in the building 15.9v, upper floor, in front of the INM-seminar room 4001b |
Chair: Antonella Di Pizio | |
14:30 | Holger Gohlke (Universität Düsseldorf/Forschungszentrum Jülich) From inhibiting plant ripening to delivering active ingredients to leaf surfaces |
15:00 | Giulia Rossetti (Forschungszentrum Jülich) Membranes effects ion channels: NaVs and pain transmission |
15:30 | Angelika Lampert (RWTH Aachen University) Role of Sodium Channels in Neuropathic Pain |
16:00 | Vania Calandrini (Forschungszentrum Jülich) From Generalized Langevin dynamics to extended models for Brownian simulations of membrane systems |
16:30 | Coffee break and poster session |
Chair: Davide Mandelli | |
17:00 | Mislav Brajkovic (Zentrum für Molekulare Biologie, Heidelberg University) Investigation of the effect of loop motion on residence time of histamine-1-receptor antagonists by τRAMD |
17:30 | Irene Vercellino (Forschungszentrum Jülich) Structures and assembly mechanism of mammalian respiratory supercomplexes |
18:00 | Stephan Grzesiek (University of Basel) A high-resolution description of G protein-coupled receptor functional motions by backbone NMR spectroscopy |
February 27
Chair: Paolo Carloni | |
8.30 | Patrick Barth (École Polytechnique Fédérale de Lausanne) Computational reprogramming of GPCR signal transduction |
9.00 | Bert de Groot (Max Planck Institute for Biophysical Chemistry) Permeation mechanisms and allostery: from potassium channels to GPCRs |
9:30 | Han Sun (Leibniz-Forschungsinstitut für Molekulare Pharmakologie) Pore Opening and Ion Conduction Mechanism in Channelrhodopsins |
10:00 | Coffee break and poster session |
Chair: Paolo Carloni | |
10:30 | Francesco Gervasio (University of Geneva) Investigating GPCR activation mechanisms with OneOPES and other enhanced sampling simulations |
11:00 | Peter Kolb (Marburg University) Looking at the finer details of ligand:receptor interactions |
11:30 | Lunch break at FZJ Seecasino |
Chair: Vittorio Limongelli | |
13:00 | Mercedes Alfonso Prieto (Forschungszentrum Jülich/Universität Düsseldorf) Modeling the interaction between the beta subunit of voltage-gated calcium channels and actin |
13:15 | Nataliia Dmitrieva (Forschungszentrum Jülich) Molecular mechanisms underlying coupled transport by DgoT, a bacterial homolog of vesicular glutamate transporters |
13:30 | Gerhard Wolber (Freie Universität Berlin) Decoding GPCR Signaling with Dynophores – a Closer Look on the Muscarinic and Opioid Receptor |
14:00 | Florian Seufert (University of Leipzig) Unveiling the GPS Cleavage Mechanism in ADGRL1 with QM/MM |
14:30 | Ariane Nunes Alves (TU Berlin) Investigating pH-sensitivity in the Plasmodium falciparum chloroquine resistance transporter through simulations and mutagenesis |
15:00 | Coffee break and poster session |
Chair: Vittorio Limongelli | |
15:30 | Carsten Sachse (Forschungszentrum Jülich) Cryo-EM reveals structures and activities of membrane remodeling proteins |
16:00 | Andrea Rizzi (Forschungszentrum Jülich) Neural network configurational mapping and collective variables for free energy estimation |
16:30 | Bassam G. Haddad (RWTH Aachen/Forschungszentrum Jülich) Decoding the SLC26 family using computational prediction and consensus structure analysis |
17:00 | Vincenzo Carnevale (Temple University, USA) Lipid-induced hydrophobic gating in BK potassium channel |
17:30 | Concluding remarks |
The event is supported by
