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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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Bibliographic Details
Published in:PLoS One
Main Authors: Wan, Mingwei, Gao, Lianghui, Fang, Weihai
Format: Artigo
Language:Inglês
Published: Public Library of Science 2018
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5967728/
https://ncbi.nlm.nih.gov/pubmed/29795682
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0198049
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