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Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations |
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| Authors: | Katja Ostermeir Martin Zacharias |
| Institution: | Physik‐Department T38, Technische Universit?t München, , 85748 Garching, Germany |
| Abstract: | |
| Keywords: | molecular simulations global protein dynamics conformational sampling accelerated sampling force field calculation |