Statements (24)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:Field
|
| gptkbp:basisFor |
gptkb:Lennard-Jones_potential
Coulombic interactions bonded interactions torsional potentials |
| gptkbp:citation |
Jorgensen, W. L., et al. J. Am. Chem. Soc. 1996, 118, 11225-11236.
|
| gptkbp:developedBy |
gptkb:William_L._Jorgensen
|
| gptkbp:firstPublished |
1996
|
| https://www.w3.org/2000/01/rdf-schema#label |
OPLS-AA
|
| gptkbp:includes |
all-atom representation
|
| gptkbp:parameter |
lipids
nucleic acids organic molecules proteins |
| gptkbp:relatedTo |
OPLS force field family
|
| gptkbp:standsFor |
Optimized Potentials for Liquid Simulations All Atom
|
| gptkbp:used_in |
gptkb:NAMD
gptkb:Desmond gptkb:GROMACS gptkb:AMBER biomolecular simulations |
| gptkbp:usedFor |
molecular dynamics simulations
|
| gptkbp:bfsParent |
gptkb:OPLS_force_field
|
| gptkbp:bfsLayer |
7
|