Statements (19)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:Field
|
| gptkbp:basedOn |
OPLS force field family
|
| gptkbp:citation |
Harder et al., J. Chem. Theory Comput. 2016, 12, 1, 281–296
|
| gptkbp:compatibleWith |
gptkb:Desmond
gptkb:Maestro Schrödinger Suite |
| gptkbp:developedBy |
gptkb:Schrödinger,_Inc.
|
| https://www.w3.org/2000/01/rdf-schema#label |
OPLS3
|
| gptkbp:improves |
accuracy of non-bonded interactions
|
| gptkbp:includes |
improved van der Waals parameters
torsional parameters |
| gptkbp:predecessor |
OPLS2005
|
| gptkbp:releaseYear |
2015
|
| gptkbp:usedFor |
drug discovery
molecular modeling protein-ligand simulations small molecule simulations |
| gptkbp:bfsParent |
gptkb:OPLS_force_field
|
| gptkbp:bfsLayer |
7
|