Trajectory-based training enables protein simulations with accurate folding and Boltzmann ensembles in cpu-hours
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DOI: 10.1371/journal.pcbi.1006578
Abstract: An ongoing challenge in protein chemistry is to identify the underlying interaction energies that capture protein dynamics. The traditional trade-off in biomolecular simulation between accuracy and computational efficiency is predicated on the assumption that detailed… read more here.
Keywords: training enables; model; based training; boltzmann ... See more keywords