Biological Applications of Hybrid Quantum Mechanics/Molecular Mechanics Calculation.
Since in most cases biological macromolecular systems including solvent water molecules are remarkably large, the computational costs of performing ab initio calculations for the entire structures are prohibitive. Accordingly, QM calculations that are jointed with MM calculations are crucial to eval...
| Publicado en: | Journal of Biomedicine & Biotechnology Vol. 2012; pp. 1 - 12 |
|---|---|
| Autores principales: | , , |
| Formato: | equations & formulas pictorial review Journal Article |
| Publicado: |
Wiley-Blackwell
2012
|
| Acceso en línea: | Ver este registro en EBSCOhost |