HAL: hal-00684530, version 1

PubMed: 22228511

DOI: 10.1093/bib/bbr077

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Briefings in Bioinformatics 13, 4 (2012) 395-405

Multiscale modeling of macromolecular biosystems.

Samuel C Flores 1, Julie Bernauer 2, Seokmin Shin 3, Ruhong Zhou 4, Xuhui Huang 5

For the Équipe Associée GNAPI/ITSNAP collaboration(s)

(2012-07)

In this article, we review the recent progress in multiresolution modeling of structure and dynamics of protein, RNA and their complexes. Many approaches using both physics-based and knowledge-based potentials have been developed at multiple granularities to model both protein and RNA. Coarse graining can be achieved not only in the length, but also in the time domain using discrete time and discrete state kinetic network models. Models with different resolutions can be combined either in a sequential or parallel fashion. Similarly, the modeling of assemblies is also often achieved using multiple granularities. The progress shows that a multiresolution approach has considerable potential to continue extending the length and time scales of macromolecular modeling.

1:	Cell and Molecular Biology
	Uppsala University
2:	AMIB (INRIA Saclay - Ile de France)
	INRIA – Polytechnique - X – CNRS : UMR8623 – Université Paris XI - Paris Sud
3:	Department of Chemistry
	Seoul National University
4:	IBM Watson Research Center
	IBM
5:	Department of Chemistry [HKUST]
	Hong Kong University of Science and Technology

Domain

:

Life Sciences/Biochemistry, Molecular Biology/Biomolecules

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From: Julie Bernauer <>

Submitted on: Monday, 2 April 2012 13:48:39

Updated on: Tuesday, 27 November 2012 15:40:22