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Abstract: Molecular dynamics (MD) is widely used in simulations of biomolecular systems such as DNA and proteins, systems which are multiscale in nature. However, current time stepping integrators are not able to address the time scale problems. Multiscale integrators, in which the presence of "fast" modes does not affect the time integration of "slow" modes, are pressingly needed in light of the fast growing biological data generated from the many genome sequencing projects. In this paper, we present a... (Update)
Cited by: More
Shadow Hybrid Monte Carlo: An Efficient Propagator in Phase .. - Izaguirre, Hampton (2004) (Correct)
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BibTeX entry: (Update)
Q. Ma, J. A. Izaguirre, Targeted mollified impulse --- a multiscale stochastic integrator for long molecular dynamics simulations, Multiscale Model. Simul. 2 (1) (2003) 1--21. http://citeseer.ist.psu.edu/ma03targeted.html More
@article{ ma03targeted,
author = "Q. Ma and J. Izaguirre",
title = "Targeted mollified impulse --- a multiscale stochastic integrator for long
molecular dynamics simulations",
journal = "Multiscale Model. Simul.",
volume = "2",
number = "1",
pages = "1--21",
year = "2003",
url = "citeseer.ist.psu.edu/ma03targeted.html" }
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