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fSUB: Normal Mode Analysis with Flexible Substructures

In this paper, we report a novel normal mode analysis for supramolecular complexes, named as fSUB. The method models a complex as a group of flexible substructures. The low-frequency substructure modes are first determined with substructures in isolation, and the motions of the whole complex are the...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Lu, Mingyang, Ming, Dengming, Ma, Jianpeng
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2012
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3547612/
https://ncbi.nlm.nih.gov/pubmed/22448847
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp300312u
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