Reproduction of macroscopic properties of unsaturated triacylglycerides using a modified NERD force field
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy
Reference25 articles.
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4. Nanoscale characteristics of triacylglycerol oils: phase separation and binding energies of two-component oils to crystalline nanoplatelets;MacDougall;Faraday Discuss,2012
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2. Polymorphic phase transitions in triglycerides and their mixtures studied by SAXS/WAXS techniques: In bulk and in emulsions;Advances in Colloid and Interface Science;2024-01
3. COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides;Journal of Chemical Theory and Computation;2023-02-02
4. Structural and thermodynamic properties of bulk triglycerides and triglyceride/water mixtures reproduced using a polarizable coarse-grained model;Physical Chemistry Chemical Physics;2023
5. Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics Simulations;Journal of Chemical Information and Modeling;2022-11-04
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