On 19 May, the Centre Européen de Calcul Atomique et Moléculaire (CECAM) organised a flagship workshop entitled ‘RNA modelling across scales‘ in Trieste, Italy. Two EXA4MIND partners — Vojtěch Mlýnský and Pavel Banáš — presented two posters at the event.
Pavel Banáš presented the core principles of their Integrated Database of Force Fields and Experimental Data (IDA). This advanced database integrates force fields, experimental measurements and trajectories from Molecular Dynamics (MD) simulations. Using a test case, he showed how this platform can support the improvement of force fields through a reweighting approach.
Vojtěch Mlýnský introduced their Universal Molecular Force Field Format (UMFFF), which aims to standardise force fields for biomolecules (initially all-atom and, later, coarse-grained) and make them accessible to the community in multiple formats tailored to various MD engines.
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