Quantum mechanical effect in protein-ligand interaction
文献类型：期刊论文
| 作者 | Jing, Ying-Qi; Han, Ke-Li |
| 刊名 | expert opinion on drug discovery
 |
| 出版日期 | 2010 |
| 卷号 | 5期号:1页码:33-49 |
| 关键词 | full quantum calculation GHO method MFCC approach protein-ligand interaction |
| 英文摘要 | importance of the field. the development of quantum mechanics (qm) was perhaps the greatest intellectual achievement of the 20th century. recently, qm-based methods have come to attention with the applications of studying qm effects in protein-ligand interactions. the qm-based methods give molecular-level insights into protein-ligand interactions and these can play a major role in the elucidation of the structure or reactivity of a biomolecular system. |
| WOS标题词 | science & technology ; life sciences & biomedicine |
| 类目[WOS] | pharmacology & pharmacy |
| 研究领域[WOS] | pharmacology & pharmacy |
| 关键词[WOS] | density-functional theory ; orbital gho method ; consistent-field method ; ground-state energies ; ab-initio computation ; c-h hydroxylation ; compound-i ; cytochrome-p450 enzymes ; qm/mm methods ; molecular-mechanics |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000273791800004 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/141655]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jing, Ying-Qi,Han, Ke-Li. Quantum mechanical effect in protein-ligand interaction[J]. expert opinion on drug discovery,2010,5(1):33-49. |
| APA | Jing, Ying-Qi,&Han, Ke-Li.(2010).Quantum mechanical effect in protein-ligand interaction.expert opinion on drug discovery,5(1),33-49. |
| MLA | Jing, Ying-Qi,et al."Quantum mechanical effect in protein-ligand interaction".expert opinion on drug discovery 5.1(2010):33-49. |
入库方式： OAI收割
来源：大连化学物理研究所
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