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Title: Comparison of the Simulations of Cellulosic Crystals with Three Carbohydrate Force Fields

Authors:
; ; ;
Publication Date:
OSTI Identifier:
1239053
Report Number(s):
NREL/JA-2700-65898
Journal ID: ISSN 0008-6215
DOE Contract Number:
AC36-08GO28308
Resource Type:
Journal Article
Resource Relation:
Journal Name: Carbohydrate Research; Journal Volume: 422; Related Information: Carbohydrate Research
Research Org:
NREL (National Renewable Energy Laboratory (NREL), Golden, CO (United States))
Sponsoring Org:
USDOE Office of Biological and Environmental Research; USDOE Office of Advanced Scientific Computing Research
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANAYLYTICAL CHEMISTRY molecular mechanics calculations; molecular dynamics simulations; carbohydrate force fields; conformational energy calculations