Nanosystem Self-Assembly Pathways Discovered via All-Atom Multiscale Analysis
نویسندگان
چکیده
منابع مشابه
Nanosystem self-assembly pathways discovered via all-atom multiscale analysis.
We consider the self-assembly of composite structures from a group of nanocomponents, each consisting of particles within an N-atom system. Self-assembly pathways and rates for nanocomposites are derived via a multiscale analysis of the classical Liouville equation. From a reduced statistical framework, rigorous stochastic equations for population levels of beginning, intermediate, and final ag...
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Multiscale methods are becoming increasingly promising as a way to characterize the dynamics of large protein systems on biologically relevant time-scales. The underlying assumption in multiscale simulations is that it is possible to move reliably between different resolutions. We present a method that efficiently generates realistic all-atom protein structures starting from the C(alpha) atom p...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2012
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp210407e