Optimized Potentials for Liquid Simulations force field
GPTKB entity
Statements (44)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:Field
|
| gptkbp:abbreviation |
gptkb:OPLS_force_field
|
| gptkbp:basisFor |
gptkb:Lennard-Jones_potential
Coulombic interactions angle bending bond stretching non-bonded interactions bonded interactions harmonic potentials torsional potentials |
| gptkbp:citation |
Jorgensen, W. L., et al. J. Am. Chem. Soc. 1988, 110, 1657-1666.
|
| gptkbp:developedBy |
gptkb:William_L._Jorgensen
|
| gptkbp:firstPublished |
1988
|
| https://www.w3.org/2000/01/rdf-schema#label |
Optimized Potentials for Liquid Simulations force field
|
| gptkbp:includes |
gptkb:OPLS-AA
gptkb:OPLS-UA gptkb:OPLS3 gptkb:OPLS4 OPLS-2005 |
| gptkbp:license |
open (for some versions)
proprietary (for some versions) |
| gptkbp:parameter |
lipids
nucleic acids organic molecules proteins carbohydrates small molecules |
| gptkbp:relatedTo |
gptkb:AMBER_force_field
gptkb:CHARMM_force_field gptkb:GROMOS_force_field OPLS-AA/L |
| gptkbp:type |
all-atom force field
united-atom force field |
| gptkbp:used_in |
gptkb:CHARMM
gptkb:NAMD gptkb:Desmond gptkb:GROMACS gptkb:AMBER |
| gptkbp:usedFor |
biomolecular simulations
molecular dynamics simulations liquid simulations |
| gptkbp:website |
https://jorgensenlab.chem.yale.edu/forcefields.html
|
| gptkbp:bfsParent |
gptkb:OPLS_force_field
|
| gptkbp:bfsLayer |
7
|