Quantum-Chemical Quasi-Docking for Molecular Dynamics Calculations
The quantum quasi-docking procedure is used to compare the docking accuracies of two quantum-chemical semiempirical methods, namely, PM6-D3H4X and PM7. Quantum quasi-docking is an approximation to quantum docking. In quantum docking, it is necessary to search directly for the global minimum of the e...
保存先:
| 主要な著者: | , , , |
|---|---|
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
MDPI AG
2022-01-01
|
| シリーズ: | Nanomaterials |
| 主題: | |
| オンライン･アクセス: | https://www.mdpi.com/2079-4991/12/2/274 |
| タグ: |
タグなし, このレコードへの初めてのタグを付けませんか!
|