Pub. Date : 2020 Oct 14
PMID : 33086809
3 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Analytical approach to phonon calculations in the SCC-DFTB framework. | dftb | serpin family B member 3 | Homo sapiens |
| 2 | Detailed derivation of the analytical, reciprocal-space approach of Hessian calculation within the self-consistent-charge density-functional based tight-binding framework (SCC-DFTB) is presented. | dftb | serpin family B member 3 | Homo sapiens |
| 3 | This approach provides an accurate and efficient way for obtaining the SCC-DFTB Hessian of periodic systems. | dftb | serpin family B member 3 | Homo sapiens |