Lipid14: The Amber Lipid Force Field
Imperial College London · San Diego Supercomputer Center · +2 more institutions
Abstract
The AMBER lipid force field has been updated to create Lipid14, allowing tensionless simulation of a number of lipid types with the AMBER MD package. The modular nature of this force field allows numerous combinations of head and tail groups to create different lipid types, enabling the easy insertion of new lipid species. The Lennard-Jones and torsion parameters of both the head and tail groups have been revised and updated partial charges calculated. The force field has been validated by simulating bilayers of six different lipid types for a total of 0.5 μs each without applying a surface tension; with favorable comparison to experiment for properties such as area per lipid, volume per lipid, bilayer…
Citation impact
- FWCI
- 29.45
- Percentile
- 100%
- References
- 110
Authors
7- CJCallum J. DicksonCorresponding
Imperial College London
- BDBenjamin D. Madej
San Diego Supercomputer Center, University of California San Diego
- ÅAÅge A. Skjevik
San Diego Supercomputer Center, University of California San Diego, University of Bergen
- RMRobin M. Betz
San Diego Supercomputer Center, University of California San Diego
- KTKnut Teigen
University of Bergen
Topics & keywords
- Force field (fiction)
- Lipid bilayer
- Chemical physics
- Field (mathematics)
- Nucleic acid
- Chemistry
- Molecular dynamics
- Materials science
- Life in Land