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pro vyhledávání: '"Benoiît Roux"'
Autor:
Aaron R. Dinner, Benoiît Roux, Gregory A. Voth, Jonathan Weare, Martin McCullagh, James F. Dama, Anton V. Sinitskiy
Publikováno v:
Journal of Chemical Theory and Computation. 9:2466-2480
Coarse-grained (CG) models provide a computationally efficient means to study biomolecular and other soft matter processes involving large numbers of atoms correlated over distance scales of many covalent bond lengths and long time scales. Variationa
Publikováno v:
Journal of chemical theory and computation. 10(2)
The original formulation of the string method in collective variable space is compared with a recent variant called string method with swarms-of-trajectories. The assumptions made in the original method are revisited and the significance of the minim