Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free-Energy Simulations of Protein Lysine Methyltransferases

Qin Xu; Yu-zhuo Chu; Hao-Bo Guo; Jeremy C. Smith; Hong Guo

首页> 外文期刊>Chemistry: A European journal >Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free-Energy Simulations of Protein Lysine Methyltransferases

【24h】

Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free-Energy Simulations of Protein Lysine Methyltransferases

机译：写入表观遗传标记的能量三重态：蛋白质赖氨酸甲基转移酶的QM / MM自由能模拟的见解

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

We thank Prof. Xiaodong Cheng for useful discussions. This work was supported by the National Science Foundation to H.G. (Grant number: 0817940) and in part by a DOE Laboratory-Directed Research and Development award to J.C.S.

机译：我们感谢郑晓东教授的有益讨论。这项工作得到了美国国家科学基金会（H.G.）的资助（授权号：0817940），部分获得了美国能源部（DOE）实验室主导的研究与开发奖（J.C.S.

著录项

来源
《Chemistry: A European journal》 |2009年第46期|共4页
作者
Qin Xu; Yu-zhuo Chu; Hao-Bo Guo; Jeremy C. Smith; Hong Guo;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类应用化学;
关键词
density functional calculations; enzyme catalysis; free-energy simulations; histone lysine methylation; quantum chemistry;

机译：密度泛函计算;酶催化;自由能模拟;组蛋白赖氨酸甲基化;量子化学;

相似文献

外文文献
中文文献
专利

1. Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free-Energy Simulations of Protein Lysine Methyltransferases [J] . Qin Xu, Yu-zhuo Chu, Hao-Bo Guo, Chemistry: A European journal . 2009,第46期

机译：写入表观遗传标记的能量三重态：蛋白质赖氨酸甲基转移酶的QM / MM自由能模拟的见解
2. Understanding product specificity of protein lysine methyltransferases from QM/MM molecular dynamics and free energy simulations: The effects of mutation on SET7/9 beyond the Tyr/Phe switch [J] . Yao J., Chu Y., An R., Journal of chemical information and modeling . 2012,第2期

机译：从QM / MM分子动力学和自由能模拟了解蛋白质赖氨酸甲基转移酶的产品特异性：超越Tyr / Phe开关的突变对SET7 / 9的影响
3. Progress in Ab InitioQM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pK_a, Redox Reactions and Solvation Free Energies [J] . Shina C. L. Kamerlin, Maciej Haranczyk, Arieh Warshel The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2009,第5期

机译：蛋白质中静电能的从头算QM / MM自由能模拟研究进展：pK_a，氧化还原反应和溶剂自由能的加速QM / MM研究
4. Molecular Dynamics Simulation and Free Energy Calculation of Protein Arginine Methyltransferase 1 [C] . Xin Zhou International Conference on Material Science, Energy and Environmental Engineering . 2018

机译：蛋白质精氨酸甲基转移酶1的分子动力学模拟和自由能计算
5. Mechanistic Insights of Reactions Catalyzed by OmpB Lysine Methyltransferases [D] . Choi, Bok-Eum 2018

机译：OmpB赖氨酸甲基转移酶催化的反应机理。
6. How do SET-domain Protein Lysine Methyltransferases Achieve the Methylation State Specificity? Revisited by ab initio QM/MM Molecular Dynamics Simulations [O] . Po Hu, Shenglong Wang, Yingkai Zhang -1

机译：SET结构域蛋白赖氨酸甲基转移酶如何实现甲基化状态特异性？从头开始进行QM / MM分子动力学模拟
7. Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies [O] . Shina C. L. Kamerlin, Maciej Haranczyk, Arieh Warshel 2008

机译：AB Initio QM / MM蛋白质静电能量模拟的进展：加速QM / MM研究PKA，氧化还原反应和溶剂化能量

Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free-Energy Simulations of Protein Lysine Methyltransferases

摘要

著录项

相似文献

相关主题

期刊订阅