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Electronic Absorption Spectra from MM and ab Initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein

机译：mm和ab Initio Qm / mm分子动力学的电子吸收光谱：环境对光活性黄色蛋白吸收光谱的影响

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Christine M. Isborn; Andreas W. Götz; Matthew A. Clark; Ross C. Walker; Todd J. Martínez;
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1. Electronic Absorption Spectra from MM and ab Initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein [J] . Christine M. Isborn, Andreas W. Gotz, Matthew A. Clark Journal of chemical theory and computation: JCTC . 2012,第12期

机译：MM和从头算QM / MM分子动力学的电子吸收光谱：环境对光敏黄色蛋白吸收光谱的影响
2. Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water [J] . Zuehlsdorff Tim J., Napoli Joseph A., Milanese Joel M., The Journal of Chemical Physics . 2018,第2期

机译：使用核量子效应解开电子吸收光谱：光活性黄蛋白和水中的绿色荧光蛋白发色团
3. Electronic Absorption Spectra of Pyridine and Nicotine in Aqueous Solution with a Combined Molecular Dynamics and Polarizable QM/MM Approach [J] . Pagliai Marco, Mancini Giordano, Carnimeo Ivan, Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2017,第5a6期

机译：吡啶和尼古丁在水溶液中的电子吸收光谱，组合分子动力学和可极化的QM / mm方法
4. Rhodopsin and GFP Chromophores: QM/MM Absorption Spectra in Solvent and Protein [C] . Piero Altoe, Marco Stenta, Marco Garavelli International Conference of Computational Methods in Sciences and Engineering 2007(ICCMSE 2007); 20070925-30; Corfu(GR) . 2007

机译：视紫红质和GFP发色团：溶剂和蛋白质中的QM / MM吸收光谱
5. Towards more realistic molecular modeling of catalysis with density functional theory: Combined QM/MM and ab initio molecular dynamics methods. [D] . Woo, Tommy Kwong. 1998

机译：借助密度泛函理论向更现实的催化分子建模：结合QM / MM和从头算分子动力学方法。
6. Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein [O] . Christine M. Isborn, Andreas W. Götz, Matthew A. Clark, -1

机译：电子吸收光谱从mm和从头Qm / mm分子动力学：对光敏蛋白黄色的吸收光谱环境影响
7. CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum [O] . Elisa Pieri, Vincent Ledentu, Michael Sahlin, 2019

机译：CPHMD-THE-QM / MM鉴定氨基酸，其负责Anabaena Sensory rodopsin pH依赖的电子吸收光谱

Electronic Absorption Spectra from MM and ab Initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein

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