标题
A QM/MM study of the binding of RAPTA ligands to cathepsin B
作者
关键词
-
出版物
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 25, Issue 8, Pages 729-742
出版商
Springer Nature
发表日期
2011-06-25
DOI
10.1007/s10822-011-9448-7
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- On the Convergence of QM/MM Energies
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- Exploring the Binding of Inhibitors Derived from Tetrabromobenzimidazole to the CK2 Protein Using a QM/MM-PB/SA Approach
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- Reactivity of an antimetastatic organometallic ruthenium compound with metallothionein-2: relevance to the mechanism of action
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- Hydrolysis study of the bifunctional antitumour compound RAPTA-C, [Ru(η6-p-cymene)Cl2(pta)]
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- QM/MM−PBSA Method To Estimate Free Energies for Reactions in Proteins
- (2008) Markus Kaukonen et al. JOURNAL OF PHYSICAL CHEMISTRY B
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