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

Abstract

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

Authors:
ORCiD logo [1];  [1];  [2];  [2];  [3]; ORCiD logo [4]
  1. Dept. of Chemical and Biomolecular Engineering, University of Delaware, Newark, USA
  2. Biomaterials, DuPont Industrial Biosciences, DowDuPont Specialty Products Division, Wilmington, USA
  3. Science and Innovation, DuPont Specialty Products, DowDuPont Specialty Products Division, Wilmington, USA
  4. Dept. of Chemical and Biomolecular Engineering, University of Delaware, Newark, USA, Dept. of Materials Science and Engineering, University of Delaware
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1514756
Grant/Contract Number:  
SC0017753
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Soft Matter
Additional Journal Information:
Journal Name: Soft Matter Journal Volume: 15 Journal Issue: 23; Journal ID: ISSN 1744-683X
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Beltran-Villegas, Daniel J., Intriago, Daniel, Kim, Kyle H. C., Behabtu, Natnael, Londono, J. David, and Jayaraman, Arthi. Coarse-grained molecular dynamics simulations of α-1,3-glucan. United Kingdom: N. p., 2019. Web. doi:10.1039/C9SM00580C.
Beltran-Villegas, Daniel J., Intriago, Daniel, Kim, Kyle H. C., Behabtu, Natnael, Londono, J. David, & Jayaraman, Arthi. Coarse-grained molecular dynamics simulations of α-1,3-glucan. United Kingdom. doi:10.1039/C9SM00580C.
Beltran-Villegas, Daniel J., Intriago, Daniel, Kim, Kyle H. C., Behabtu, Natnael, Londono, J. David, and Jayaraman, Arthi. Wed . "Coarse-grained molecular dynamics simulations of α-1,3-glucan". United Kingdom. doi:10.1039/C9SM00580C.
@article{osti_1514756,
title = {Coarse-grained molecular dynamics simulations of α-1,3-glucan},
author = {Beltran-Villegas, Daniel J. and Intriago, Daniel and Kim, Kyle H. C. and Behabtu, Natnael and Londono, J. David and Jayaraman, Arthi},
abstractNote = {In this work we present a coarse-grained model for α-1,3-glucan that captures hydrogen bonding directionality and polysaccharide monomer structure.},
doi = {10.1039/C9SM00580C},
journal = {Soft Matter},
number = 23,
volume = 15,
place = {United Kingdom},
year = {2019},
month = {6}
}

Journal Article:
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