Statements (22)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:algorithm
|
| gptkbp:abbreviation |
gptkb:SPME
|
| gptkbp:category |
computational chemistry
numerical methods |
| gptkbp:citation |
Essmann, U. et al., J. Chem. Phys. 103, 8577 (1995)
|
| gptkbp:enables |
efficient calculation of electrostatic interactions
|
| https://www.w3.org/2000/01/rdf-schema#label |
Smooth Particle Mesh Ewald
|
| gptkbp:implementedIn |
gptkb:CHARMM
gptkb:NAMD gptkb:GROMACS gptkb:AMBER |
| gptkbp:improves |
accuracy of electrostatic calculations
|
| gptkbp:introduced |
gptkb:U._Essmann
|
| gptkbp:introducedIn |
1995
|
| gptkbp:publishedIn |
gptkb:Journal_of_Chemical_Physics
|
| gptkbp:relatedTo |
gptkb:Ewald_summation
gptkb:Particle_Mesh_Ewald |
| gptkbp:usedFor |
long-range electrostatics
|
| gptkbp:usedIn |
molecular dynamics simulations
|
| gptkbp:uses |
gptkb:Fast_Fourier_Transform
|
| gptkbp:bfsParent |
gptkb:Ewald_summation
|
| gptkbp:bfsLayer |
5
|