Research output per year
Research output per year
Description
Python script to determine melting point onset of pure TAG crystals.
All average melting point and bootstrap plots.
Melting point determination decision tree.
All simulations carried out in GROMACS 2021.3 using the COGITO FF.
All average melting point and bootstrap plots.
Melting point determination decision tree.
All simulations carried out in GROMACS 2021.3 using the COGITO FF.
| Date made available | 20 Apr 2023 |
|---|---|
| Publisher | University of Strathclyde |
Research output
- 1 Article
-
Triacylglyceride melting point determination using coarse-grained molecular dynamics
Cordina, R. J., Smith, B. & Tuttle, T., 5 Aug 2023, In: Journal of Computational Chemistry . 44, 21, p. 1795-1801 7 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile4 Downloads (Pure)