Statements (30)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
molecular mechanics force field
|
| gptkbp:associatedWith |
CHARMM program
|
| gptkbp:citation |
Brooks BR et al., J. Comput. Chem. 1983, 4, 187-217
|
| gptkbp:compatibleWith |
gptkb:NAMD
gptkb:GROMACS gptkb:CHARMM-GUI gptkb:OpenMM |
| gptkbp:developedBy |
gptkb:Harvard_University
gptkb:Martin_Karplus |
| gptkbp:firstReleased |
1983
|
| gptkbp:hasVersion |
CHARMM22
CHARMM27 CHARMM36 |
| https://www.w3.org/2000/01/rdf-schema#label |
CHARMM force field
|
| gptkbp:includes |
gptkb:van_der_Waals_interactions
electrostatic interactions angle bending bonded terms dihedral torsions improper torsions non-bonded terms |
| gptkbp:parameter |
lipids
nucleic acids proteins carbohydrates small molecules |
| gptkbp:usedIn |
molecular dynamics simulations
|
| gptkbp:website |
https://www.charmm.org
|
| gptkbp:bfsParent |
gptkb:OPLS_force_field
|
| gptkbp:bfsLayer |
7
|