On searching in, sampling of, and dynamically moving through conformational space of biomolecular systems: A review

Methods to search for low-energy conformations, to generate a Boltzmann-weighted ensemble of configurations, or to generate classical-dynamical trajectories for molecular systems in the condensed liquid phase are briefly reviewed with an eye to application to biomolecular systems. After having chose...

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Veröffentlicht in:Journal of computational chemistry 2008-01, Vol.29 (2), p.157-166
Hauptverfasser: Christen, Markus, van Gunsteren, Wilfred F
Format: Artikel
Sprache:eng
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