The National Centre for Biomolecular Research, in collaboration with CEITEC and the Centre for International Cooperation, organized the second year of the intensive two-week summer school from 15th to 26th July 2024. The school program focused on edge computer simulation techniques at various scales, from atomic to coarse-grained simulations, covering topics from supramolecular chemistry to structural biology. The course was attended by 15 students, mainly from the bachelor and master levels.
Anna Hýsková, Eva Maršálková a Petr Šimeček porovnali přesnost a rychlost predikce proteinových struktur pomocí nástrojů AlphaFold2, ESMFold a OmegaFold. Studie ukazuje, kdy má smysl využít nejpřesnější model AlphaFold2 a kdy postačí výrazně rychlejší alternativy.
