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Insight into the binding of DFG-out allosteric inhibitors to B-Raf kinase using molecular dynamics and free energy calculations.

机译：使用分子动力学和自由能计算洞察DFG外变构抑制剂与B-Raf激酶的结合。

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The published manuscript is available at EurekaSelect via http://www.eurekaselect.com/openurl/content.php?genre=article&doi= 10.2174/1573409911666150702100245

机译：已发布的手稿可通过http://www.eurekaselect.com/openurl/content.php?genre=article&doi= 10.2174 / 1573409911666150702100245在EurekaSelect上获得

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作者
Coronel, Luis; Granadino-Roldán, José M.; Pinto, Marta; Tomás Belenguer, María Santos; Pujol, M. Dolors; Rubio-Martinez, Jaime;
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年度 2015
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正文语种 eng
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1. Insight into the Binding of DFG-out Allosteric Inhibitors to B-Raf Kinase Using Molecular Dynamics and Free Energy Calculations [J] . Coronel Luis, Granadino-Roldan Jose M., Pinto Marta, Current computer-aided drug design . 2015,第2期

机译：使用分子动力学和自由能计算洞察DFG释放变构抑制剂与B-Raf激酶的结合
2. Analysis of Imatinib and Sorafenib Binding to p38α Compared with c-Abl and b-Raf Provides Structural Insights for Understanding the Selectivity of Inhibitors Targeting the DFG-Out Form of Protein Kinases [J] . Haridasan V. Namboodiri Marina Bukhtiyarova Joseph Ramcharan Michael Karpusas Younghee Lee and Eric B. Springman Biochemistry . 2010,第17期

机译：与c-Abl和b-Raf相比，伊马替尼和索拉非尼与p38α结合的分析为了解针对蛋白激酶的DFG释放形式的抑制剂的选择性提供了结构上的见解。
3. Analysis of imatinib and sorafenib binding to p38α Compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases [J] . Namboodiri H.V., Bukhtiyarova M., Ramcharan J., Biochemistry . 2010,第17期

机译：与C-ABL和B-RA法相比，将伊马替尼和索拉非尼与P38α结合的分析提供了用于理解靶向蛋白激酶的DFG形式的抑制剂的选择性的结构见解
4. Binding Affinities for a Series of Selective Inhibitors of Gelatinase-A Using Molecular Dynamics with a Linear Interaction Energy Approach [C] . T. J. Hou, W. Zhang, X. J. Xu Collection of Academic Papers(2001) . -1

机译：使用分子动力学与线性相互作用能方法的一系列明胶酶-A选择性抑制剂的结合亲和力。
5. Computational analysis of molecular recognition: Molecular dynamics and free energy calculations. [D] . Masukawa, Kevin M. 2004

机译：分子识别的计算分析：分子动力学和自由能计算。
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8. Insights into the Structural Function of the Complex of HIV-1 Protease with TMC-126: Molecular Dynamics Simulations and Free-Energy Calculations. [R] . Li, D., Han, J. G., Chen, H., 2012

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Insight into the binding of DFG-out allosteric inhibitors to B-Raf kinase using molecular dynamics and free energy calculations.

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