Coarse-Grained Molecular Dynamics: Dissipation Due to Internal Modes
نویسندگان
چکیده
منابع مشابه
Coarse-grained protein molecular dynamics simulations.
A limiting factor in biological science is the time-scale gap between experimental and computational trajectories. At this point, all-atom explicit solvent molecular dynamics (MD) are clearly too expensive to explore long-range protein motions and extract accurate thermodynamics of proteins in isolated or multimeric forms. To reach the appropriate time scale, we must then resort to coarse grain...
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Molecular dynamics (MD) simulation has remained the most indispensable tool in studying equilibrium/non-equilibrium conformational dynamics since its advent 30 years ago. With advances in spectroscopy accompanying solved biocomplexes in growing sizes, sampling their dynamics that occur at biologically interesting spatial/temporal scales becomes computationally intractable; this motivated the us...
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ژورنال
عنوان ژورنال: MRS Proceedings
سال: 2001
ISSN: 0272-9172,1946-4274
DOI: 10.1557/proc-695-t10.2.1