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Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxin

机译：组合QM / MM QM / MM的效应振动，P450CAM与Putidaredoxin的结合过程中的振动

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Marek Freindorf; Yihan Shao; Jing Kong; Thomas R. Furlani;
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1. Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxin [J] . Freindorf M, Shao Y, Kong J, Journal of Inorganic Biochemistry: An Interdisciplinary Journal . 2008,第3期

机译：结合QM / MM计算P450cam与Putidaredoxin结合过程中活动部位的振动
2. y Protonation State of MnFe and FeFe Cofactors in a Ligand-Binding Oxidase Revealed by X-ray Absorption, Emission, and Vibrational Spectroscopy and QM/MM Calculations [J] . Kositzki Ramona, Mebs Stefan, Marx Jennifer, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2016,第19期

机译：X射线吸收，发射和振动光谱及QM / MM计算揭示配体结合氧化酶中MnFe和FeFe辅因子的质子化状态
3. y Protonation State of MnFe and FeFe Cofactors in a Ligand-Binding Oxidase Revealed by X-ray Absorption, Emission, and Vibrational Spectroscopy and QM/MM Calculations [J] . Kositzki Ramona, Mebs Stefan, Marx Jennifer, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2016,第19期

机译：X射线吸收，发射和振动光谱及QM / MM计算揭示配体结合氧化酶中MnFe和FeFe辅因子的质子化状态
4. Combined QM/MM Studies of Binding Effect of Cytochrome P450cam to Putidaredoxin [C] . M. Freindorf, T. R. Furlani, Y. Shao, International Conference on Bioinformatics and Computational Biology . 2006

机译：组合QM / MM对细胞色素P450CAM至普发德毒素的结合研究
5. Advancing ab initio QM/MM Free Energy Calculations: Refining, Validating and Quantifying the Reference Potential Approach [D] . Plotnikov, Nikolay V. 2013

机译：从头开始进行QM / MM自由能计算：完善，验证和量化参考电位方法
6. Combined QM/MM Calculations of Active-Site Vibrations in Binding Process of P450cam to Putidaredoxin [O] . Marek Freindorf, Yihan Shao, Jing Kong, -1

机译：结合QM / MM计算P450cam与Putidaredoxin结合过程中活性位点的振动
7. Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations [O] . Haiting Lu, Xiaoqin Huang, Mohamed Diwan M. AbdulHameed, 2014

机译：通过组合使用分子动力学模拟和QM / MM-PBSA计算，抑制尼古丁类似物的无限增强尼古丁类似物抑制细胞色素P450 2A6

Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxin

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