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Coarse graining of biomolecules
and beyond |
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7 October 2017 Warsaw, Poland |
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Home |
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| Saturday, Oct 7 | |
| 08:00 - 08:30 | registration & morning coffee |
| Session I | |
| 08:30 - 09:00 | Piotr Setny (T) Discrete solvent based method for the prediction of protein hydration sties |
| 09:00 - 09:30 | Garegin Papoian (T) AWSEM-MD: Overview of the Force Field and Selected Applications |
| 09:30 - 10:30 | Filip Leonarski (HS) RedMDStream: Simulation Toolbox To Automatically Parameterize Coarse-grained Force Fields |
| 10:30 - 11:00 | cofee break |
| Session II | |
| 11:00 - 11:30 | Szymon Niewieczerzał (T) New implicit environment model for the study of membrane proteins manipulations by coarse-grained molecular dynamics |
| 11:30 - 12:00 | Adolfo Poma (T) GoMartini: Study of Large Conformational Transition in Proteins with the Martini Force-Field |
| 12:00 - 13:00 | Mateusz Kurcinski, Maciej Ciemny, Tymoteusz Oleniecki, Karolina Dawid, Sebastian Kmiecik (HS) Modeling of protein flexibility and protein-peptide interactions using CABS-flex and CABS-dock standalone applications |
| 13:00 - 14:00 | lunch |
| Session III | |
| 14:00 - 14:30 | Mateusz Sikora (T) Membrane Glycoproteins in MARTINI Forcefield – a Sticky Problem |
| 14:30 - 15:00 | Rafał Jakubowski (T) Unfolding of membrane proteins with complex topology |
| 15:00 - 16:00 | Cezary Czaplewski, Paweł Krupa, Adam Sieradzan (HS) UNRES, NARES, and SUGRES Coarse-Grained Models - An Introduction |
| 16:00 - 17:00 | poster session & coffee |
| Session IV | |
| 17:00 - 17:30 | Michał Boniecki (T) SimRNA: a coarse-grained method for RNA folding simulations and 3D structure prediction |
| 17:30 - 18:00 | Filip Stefaniak (T) Modeling of ribonucleic acid-ligand interactions |
| 18:00 - 19:00 | Mateusz Dobrychłop (HS) PyRy3D: a software tool for modelling of large macromolecular complexes |
| 19:00 - :) | evening get-together |
Legend:
T - talk
HS - hands on session