cc-by-4.0Ollila, O. H. Samuli2025-04-292020-04-072020-04-07https://datakatalogi.helsinki.fi/handle/123456789/5007Simulation of periplasmic part of TonB protein from Helicobacter Pylori HpTonB(30-285) with CHARMM36m force field. The last 400ns from 520ns simulation. The conformational ensemble is too collapsed here according to the comparison with experimental spin relaxation data.dataset