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Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, and Electrostatics

机译：Ketosteroid异构异构酶催化的质子转移反应的杂交量子/经典分子动力学模拟：氢键，构象运动和静电分析

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Dhruva K. Chakravorty; Alexander V. Soudackov; Sharon Hammes-Schiffer;
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年度 2009
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1. Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, and Electrostatics [J] . hruva K. Chakravorty Alexander V. Soudackov and Sharon Hammes-Schiffer Biochemistry . 2009,第44期

机译：酮类固醇异构酶催化质子转移反应的混合量子/经典分子动力学模拟：氢键，构象运动和静电学分析
2. Impact of Mutation on Proton Transfer Reactions in Ketosteroid Isomerase: Insights from Molecular Dynamics Simulations [J] . Dhruva K. Chakravorty, Sharon Hammes-Schiffer Journal of the American Chemical Society . 2010,第21期

机译：突变对酮类固醇异构酶中质子转移反应的影响：分子动力学模拟的见解。
3. Impact of Mutation on Proton Transfer Reactions in Ketosteroid Isomerase: Insights from Molecular Dynamics Simulations [J] . Dhruva K. Chakravorty and Sharon Hammes-Schiffer Journal of the American Chemical Society . 2010,第21期

机译：突变对酮类固醇异构酶中质子转移反应的影响：分子动力学模拟的见解。
4. Conjugated Oligomers Forming an Intramolecular Hydrogen Bonding: Twisted Conformation and Excited-State Intramolecular Proton Transfer [C] . Koji Takagi, Shin-ichi Matsuoka, Masato Suzuki World multi-conference on systemics, cybernetics and informatics;WMSCI 2008;ISAS;International conference on Information systems analysis and synthesis;International symposium on management, engineering and informatics;MEI 2008 . 2008

机译：共轭低聚物形成分子内氢键：扭曲构象和激发态分子内质子转移。
5. Hybrid quantum/classical molecular dynamics simulations of hydrogen transfer reactions in enzymes. [D] . Chakravorty, Dhruva Kumar. 2010

机译：酶中氢转移反应的混合量子/经典分子动力学模拟。
6. Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding Conformational Motions and Electrostatics [O] . Dhruva K. Chakravorty, Alexander V. Soudackov, Sharon Hammes-Schiffer -1

机译：混合量子/经典分子动力学通过固醇异构酶催化的质子转移反应的模拟：氢键分析构象的情感以及静电
7. Impact of Mutation on Proton Transfer Reactions in Ketosteroid Isomerase: Insights from Molecular Dynamics Simulations [O] . Dhruva K. Chakravorty, Sharon Hammes-Schiffer 2010

机译：突变对酮类固醇异构酶质子转移反应的影响：分子动力学模拟的见解

Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, and Electrostatics

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