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Implicit-solvent dissipative particle dynamics force field based on a four-to-one coarse-grained mapping scheme

A new set of efficient solvent-free dissipative particle dynamics (DPD) force fields was developed for phospholipids and peptides. To enhance transferability, this model maps around four heavy atoms and their connected hydrogen atoms into a coarse-grained elementary bead based on functional group. T...

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Detalles Bibliográficos
Autores principales: Wan, Mingwei, Gao, Lianghui, Fang, Weihai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5967728/
https://www.ncbi.nlm.nih.gov/pubmed/29795682
http://dx.doi.org/10.1371/journal.pone.0198049