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Study of the effects of aqueous solvation on the structure of glucosamine using the Car-Parrinello molecular dynamics

机译：含水溶剂水溶液对葡萄糖胺结构的影响使用轿车 - 帕尔诺列罗分子动力学

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Lilian T.F de M. Camargo; Roberta Siginine; Allane Catharina; Ademir João Camargo;
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年度 2018
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1. Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group [J] . Camargo Lilian T. F. de M., Signini Roberta, Rodrigues Allane C. C., The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2020,第32期

机译：AB Initio水性氨基葡萄糖溶液的分子动力学模拟：溶剂化结构和质子转移从水到氨基的机制
2. Explicit Aqueous Solvation Treatment of Epinephrine from Car-Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum [J] . Neto Arsenio P. V, Scalabrini Machado Daniel F., Lopes Thiago O., The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2018,第35期

机译：从轿车分子动力学中显式水性溶剂处理肾上腺素：氢键对电子吸收光谱的影响
3. Effects of Urea, Tetramethyl Urea, and Trimethylamine N-Oxide on Aqueous Solution Structure and Solvation of Protein Backbones: A Molecular Dynamics Simulation Study [J] . Haiyan Wei, Yubo Fan, Yi Qin Gao The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2010,第1期

机译：尿素，四甲基尿素和三甲胺N-氧化物对水溶液结构和蛋白质骨架溶解的影响：分子动力学模拟研究
4. DNA base damage: A Car-Parrinello Molecular Dynamics Study of Guanine and Thymine with an OH Radical [C] . Nanotechnology conference and trade show . 2003

机译：DNA碱基损伤：鸟嘌呤和胸腺嘧啶的汽车 - 帕隆罗分子动力学研究哦激进
5. Solvation energy of biomolecular structures: A study of the effect of salt on biomolecules through implicit as well as explicit solvation methods [D] . Date, Mihir Shashikant 2012

机译：生物分子结构的溶剂化能量：通过隐含的盐对生物分子的影响以及显式溶剂化方法研究
6. Solvation Properties of N-acetyl-β-glucosamine: A Molecular Dynamics Study Incorporating Electrostatic Polarization [O] . Yang Zhong, Brad A. Bauer, Sandeep Patel -1

机译：N-乙酰基 - β - 葡糖胺的溶剂化性质的分子动力学研究并入静电极化
7. Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group [O] . -1

机译：AB Initio水性氨基葡萄糖溶液的分子动力学模拟：溶剂化结构和质子转移从水到氨基的机制
8. DNA Based Damage: A Car-Parrinello Molecular Dynamics Study of Guanine and Thymine with an OH Radical [R] . Wu, Y. , Mundy, C. J. , Colvin, M. E. , 2003

机译：基于DNa的损伤：鸟嘌呤和胸腺嘧啶与OH自由基的Car-parrinello分子动力学研究

Study of the effects of aqueous solvation on the structure of glucosamine using the Car-Parrinello molecular dynamics

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