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:
-
[1];
[4]
- 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
- 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. https://doi.org/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. https://doi.org/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}
}
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https://doi.org/10.1039/C9SM00580C
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