Statements (23)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:Field
|
| gptkbp:citation |
Lu, C. et al. OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space. J. Chem. Theory Comput. 2021, 17, 7, 4291–4300.
|
| gptkbp:compatibleWith |
gptkb:Desmond
gptkb:Maestro Schrödinger Suite |
| gptkbp:developedBy |
gptkb:Schrödinger,_Inc.
|
| https://www.w3.org/2000/01/rdf-schema#label |
OPLS4
|
| gptkbp:improves |
accuracy of small molecule modeling
|
| gptkbp:includes |
expanded chemical coverage
improved torsion parameters |
| gptkbp:license |
proprietary
|
| gptkbp:parameter |
organic molecules
proteins ligands biomolecules |
| gptkbp:predecessor |
gptkb:OPLS3
|
| gptkbp:releaseYear |
2021
|
| gptkbp:successor |
OPLS3e
|
| gptkbp:usedFor |
computational chemistry
drug discovery molecular dynamics simulations |
| gptkbp:bfsParent |
gptkb:OPLS_force_field
|
| gptkbp:bfsLayer |
7
|