cc-by-4.0Ollila, O. H. Samuli2025-04-292020-04-162020-04-16https://datakatalogi.helsinki.fi/handle/123456789/4943Simulation of periplasmic part of TonB protein from Helicobacter Pylori HpTonB(30-285) with Amber ff99SB-ILDN force field. Trajectory contains the whole 387ns simulation. The conformational ensemble is too collapsed here according to the comparison with experimental spin relaxation data.dataset