Coarse-grained molecular dynamics simulations of α-1,3-glucan

Beltran-Villegas, Daniel J.; Intriago, Daniel; Kim, Kyle H.  C.; Behabtu, Natnael; Londono, J. David; Jayaraman, Arthi

doi:10.1039/c9sm00580c

Coarse-grained molecular dynamics simulations of α-1,3-glucan

Journal Article · Tue Jan 01 04:00:00 EST 2019 · Soft Matter

DOI:https://doi.org/10.1039/c9sm00580c· OSTI ID:1612753

^[1]; Intriago, Daniel ^[2]; Kim, Kyle H. C. ^[3]; Behabtu, Natnael ^[3]; Londono, J. David ^[4]; ^[5]

Dept. of Chemical and Biomolecular Engineering, University of Delaware; Newark; USA; DOE/OSTI
Dept. of Chemical and Biomolecular Engineering, University of Delaware; Newark; USA
Biomaterials; DuPont Industrial Biosciences; DowDuPont Specialty Products Division; Wilmington; USA
Science and Innovation; DuPont Specialty Products; DowDuPont Specialty Products Division; Wilmington; USA
Dept. of Chemical and Biomolecular Engineering, University of Delaware; Newark; USA; Dept. of Materials Science and Engineering; University of Delaware

In this work we present a coarse-grained model for α-1,3-glucan that captures hydrogen bonding directionality and polysaccharide monomer structure.

Research Organization:: Univ. of Delaware, Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0017753

OSTI ID:: 1612753

Journal Information:: Soft Matter, Journal Name: Soft Matter Journal Issue: 23 Vol. 15; ISSN SMOABF; ISSN 1744-683X

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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