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Space Warping Order Parameters and Symmetry: Application to Multiscale Simulation of Macromolecular Assemblies

Coarse-grained features of macromolecular assemblies are understood via a set of order parameters (OPs) constructed in terms of their all-atom configuration. OPs are shown to be slowly changing in time and capture the large-scale spatial features of macromolecular assemblies. The relationship of the...

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Veröffentlicht in:J Phys Chem B
Hauptverfasser: Singharoy, Abhishek, Joshi, Harshad, Miao, Yinglong, Ortoleva, Peter J.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2012
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4937887/
https://ncbi.nlm.nih.gov/pubmed/22356532
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp2119247
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