Multiscale molecular dynamics using the matched interface and boundary method
نویسندگان
چکیده
منابع مشابه
Multiscale molecular dynamics using the matched interface and boundary method
The Poisson-Boltzmann (PB) equation is an established multiscale model for electrostatic analysis of biomolecules and other dielectric systems. PB based molecular dynamics (MD) approach has a potential to tackle large biological systems. Obstacles that hinder the current development of PB based MD methods are concerns in accuracy, stability, efficiency and reliability. The presence of complex s...
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2011
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2010.09.031