Multiscale modeling of macromolecular biosystems.

Samuel C Flores 1 Julie Bernauer 2 Seokmin Shin 3 Ruhong Zhou 4 Xuhui Huang 5
2 AMIB - Algorithms and Models for Integrative Biology
CNRS - Centre National de la Recherche Scientifique : UMR8623, Polytechnique - X, Inria Saclay - Ile de France, UP11 - Université Paris-Sud - Paris 11, LRI - Laboratoire de Recherche en Informatique, LIX - Laboratoire d'informatique de l'École polytechnique [Palaiseau]
Abstract : 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.
Type de document :
Article dans une revue
Briefings in Bioinformatics, Oxford University Press (OUP), 2012, 13 (4), pp.395-405. 〈10.1093/bib/bbr077〉
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https://hal.inria.fr/hal-00684530
Contributeur : Julie Bernauer <>
Soumis le : lundi 2 avril 2012 - 13:48:39
Dernière modification le : jeudi 11 janvier 2018 - 06:23:08

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Samuel C Flores, Julie Bernauer, Seokmin Shin, Ruhong Zhou, Xuhui Huang. Multiscale modeling of macromolecular biosystems.. Briefings in Bioinformatics, Oxford University Press (OUP), 2012, 13 (4), pp.395-405. 〈10.1093/bib/bbr077〉. 〈hal-00684530〉

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