A Novel United-Atom Force Field for Phosphatidylglycerols
✍ Scribed by Määttä, Jukka; Salonen, Emppu; Monticelli, Luca
- Book ID
- 119207759
- Publisher
- Biophysical Society
- Year
- 2011
- Tongue
- English
- Weight
- 50 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0006-3495
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract Computer simulations offer a valuable way to study membrane systems, from simple lipid bilayers to large transmembrane protein complexes and lipid‐nucleic acid complexes for drug delivery. Their accuracy depends on the quality of the force field parameters used to describe the component
The OPLS all-atom AA force field for organic and biomolecular systems has been expanded to include carbohydrates. Starting with reported nonbonded parameters of alcohols, ethers, and diols, torsional parameters were fit to reproduce results from ab initio calculations on the hexopyranoses, ␣,-Dgluc