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Coarse-grained molecular models of water: a ... - Peter Cummings

Apr 15, 2011 ... associated with the atomistic force fields to the sampling speed obtained with coarse-grained (CG) potentials. In this work we ... field of biomolecules, our method appears ideally suited to study e.g. protein-ligand binding, where the active site .... To test the hybrid model, simulations were performed for two ...



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