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ClustENM: ENM-Based Sampling of Essential Conformational Space at Full Atomic Resolution

Accurate sampling of conformational space and, in particular, the transitions between functional substates has been a challenge in molecular dynamic (MD) simulations of large biomolecular systems. We developed an Elastic Network Model (ENM)-based computational method, ClustENM, for sampling large co...

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Detalles Bibliográficos
Publicado en:J Chem Theory Comput
Main Authors: Kurkcuoglu, Zeynep, Bahar, Ivet, Doruker, Pemra
Formato: Artigo
Idioma:Inglês
Publicado: 2016
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC5088496/
https://ncbi.nlm.nih.gov/pubmed/27494296
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00319
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