HpTonB(30-285) simulation Amber ff99SB-ILDN

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2020-04-16, 2020-04-16

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Simulation 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.

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