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Multiscale simulation of molecular processes in cellular environments

We describe the recent advances in studying biological systems via multiscale simulations. Our scheme is based on a coarse-grained representation of the macromolecules and a mesoscopic description of the solvent. The dual technique handles particles, the aqueous solvent and their mutual exchange of...

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Detalhes bibliográficos
Publicado no:Philos Trans A Math Phys Eng Sci
Main Authors: Chiricotto, Mara, Sterpone, Fabio, Derreumaux, Philippe, Melchionna, Simone
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5052736/
https://ncbi.nlm.nih.gov/pubmed/27698046
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2016.0225
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