Publication | Closed Access
Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?
126
Citations
16
References
2006
Year
EngineeringMolecular BiologyComputational ChemistrySpectra-structure CorrelationMolecular DesignInteraction EnergiesDft-d MethodMolecular RecognitionComputational BiochemistryBiophysicsBiochemistryNoncovalent InteractionsBiomolecular InteractionMolecular MechanicQuantum ChemistryAb-initio MethodLarge BiomoleculesNatural SciencesImportant GroupsComputational Biophysics
The DFT-D method is shown to yield interaction energies between biologically important groups to an accuracy comparable to that obtained using state-of-the-art ab initio methods.
| Year | Citations | |
|---|---|---|
Page 1
Page 1