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Training Workshop on Tools for Molecular Simulation of Neuronal Signaling Cascades - Agenda
| Monday, 7 March 2022 | |||
| CET: 13:00 UTC: 12:00 | Training Workshop on Tools for Molecular Simulation of Neuronal Signaling Cascades This workshop is part of the EBRAINS RI trainings. Registration to the training is now closed.
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| CET: 13:00 UTC: 12:00 | Session 1: Introduction and OMICs data | ||
| CET: 13:00‑13:30 UTC: 12:00‑12:30 (30 min) | Welcome & introduction Introduction and overview of the HBP and EBRAINS. | Rebecca Wade (HITS, Germany), Giulia D'Arrigo (HITS, Germany), Giulia Rossetti (FZJ, Germany), Jeanette Hellgren-Kotaleski (KTH, Sweden) | |
| CET: 13:30‑14:30 UTC: 12:30‑13:30 (60 min) | Lecture and Hands-on: Synaptic Proteome Database (Overview and Demo) Please find material in this Collab drive in the Synaptic Proteome Database (Overview and Demo) directory | Douglas Armstrong (UEDIN, UK), Oksana Sorokina (UEDIN, UK) | |
| CET: 14:30‑15:00 UTC: 13:30‑14:00 (30 min) | Break | ||
| CET: 15:00‑16:30 UTC: 14:00‑15:30 (90 min) | Lecture and Hands-on: Working with Molecular Data | Sven Cichon ( UNIBAS, Switzerland), Thoman Mühleisen (FZJ, Germany), Dominique Hilger (FZJ, Germany), Nicola Palomero-Gallagher (FZJ, Germany) | |
| CET: 16:30‑17:30 UTC: 15:30‑16:30 (60 min) | Case studies discussion | Rebecca Wade (HITS, Germany), Giulia D'Arrigo (HITS, Germany), Giulia Rossetti (FZJ, Germany), Jeanette Hellgren-Kotaleski (KTH, Sweden) | |
| Tuesday, 8 March 2022 | |||
| CET: 13:00 UTC: 12:00 | Training Workshop on Tools for Molecular Simulation of Neuronal Signaling Cascades, day II | ||
| CET: 13:00 UTC: 12:00 | Session 2: Molecular data and molecular dynamics simulations | ||
| CET: 13:00‑13:30 UTC: 12:00‑12:30 (30 min) | Lecture: GRALL (database of allosteric modulators of the Glycine receptor) | Jean-Pierre Changeux (IP, France), Marco Cecchini (UNISTRA, France), Adrien Cerdan (UNISTRA, France) | |
| CET: 13:30‑13:55 UTC: 12:30‑12:55 (25+5 min) | Hands-on: GRALL (database of allosteric modulators of the Glycine receptor) Material: knime-workflow-grall.tar.gz | Marco Cecchini (UNISTRA, France), Adrien Cerdan (UNISTRA, France) | |
| CET: 14:00‑15:30 UTC: 13:00‑14:30 (90 min) | Lecture and Hands-on: CNS ligands/MoDel/Setting up/running molecular dynamics simulations | Adam Hospital (IRB, Spain) | |
| CET: 15:30‑16:00 UTC: 14:30‑15:00 (30 min) | Break | ||
| CET: 16:00‑16:30 UTC: 15:00‑15:30 (30 min) | Lecture tauRAMD calculations of protein-ligand dissociation rates | Giulia D’Arrigo (HITS, Germany) | |
| CET: 16:30‑18:00 UTC: 15:30‑17:00 (90 min) | Hands-on: tauRAMD calculations of protein-ligand dissociation rates | Giulia D’Arrigo (HITS, Germany), Rebecca Wade (HITS, Germany) | |
