Biomedical Data Integration, Modeling, and Simulation in the Era of Big Data and Translational Medicine

BairongShen; Andrew E.Teschendorff; DeguiZhi; JunfengXia

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Biomedical Data Integration, Modeling, and Simulation in the Era of Big Data and Translational Medicine

机译：大数据和转化医学时代的生物医学数据集成，建模和仿真

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《BioMed research international》 |2014年第2期|共1页
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BairongShen; Andrew E.Teschendorff; DeguiZhi; JunfengXia;
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1. Translational integrity and continuity: personalized biomedical data integration. [J] . Wang X, Liu L, Fackenthal J, Journal of biomedical informatics. . 2009,第1期

机译：翻译的完整性和连续性：个性化的生物医学数据集成。
2. Approaches for the integration of big data in translational medicine: single-cell and computational methods [J] . Amirmahani Farzane, Ebrahimi Nasim, Molaei Fatemeh, Annals of the New York Academy of Sciences . 2021,第Juna期

机译：翻译医学中大数据集成的方法：单细胞和计算方法
3. Integration and Visualization of Translational Medicine Data for Better Understanding of Human Diseases [J] . Venkata Satagopam, Wei Gu, Serge Eifes, Big Data . 2016,第2期

机译：整合和可视化转化医学数据以更好地了解人类疾病
4. The Biomedical Translational Research Information System: Clinical Data Integration at the National Institutes of Health [C] . James J. Cimino International conference on data integration in the life sciences . 2012

机译：生物医学转化研究信息系统：国立卫生研究院的临床数据集成
5. Computational modeling for censored time to event data using data integration in biomedical research. [D] . Choi, Ickwon. 2011

机译：在生物医学研究中使用数据集成对事件数据的审查时间进行计算建模。
6. Biomedical Data Integration Modeling and Simulation in the Era of Big Data and Translational Medicine [O] . Bairong Shen, Andrew E. Teschendorff, Degui Zhi, -1

机译：大数据和转化医学时代的生物医学数据集成建模和仿真
7. The thermodynamic changes that occur upon mixing five models of formamide and three models of water, including the miscibility of these model combinations itself, is studied by performing Monte Carlo computer simulations using an appropriately chosen thermodynamic cycle and the method of thermodynamic integration. The results show that the mixing of these two components is close to the ideal mixing, as both the energy and entropy of mixing turn out to be rather close to the ideal term in the entire composition range. Concerning the energy of mixing, the OPLS/AA-mod model of formamide behaves in a qualitatively different way than the other models considered. Thus, this model results in negative, while the other ones in positive energy of mixing values in combination with all three water models considered. Experimental data supports this latter behavior. Although the Helmholtz free energy of mixing always turns out to be negative in the entire composition range, the majority of the model combinations tested either show limited miscibility, or, at least, approach the miscibility limit very closely in certain compositions. Concerning both the miscibility and the energy of mixing of these model combinations, we recommend the use of the combination of the CHARMM formamide and TIP4P water models in simulations of water-formamide mixtures. [O] . Kiss, Bálint, Fábián, Balázs, Idrissi, Abdenacer, 2017

机译：通过使用适当选择的热力学循环和热力学积分方法进行蒙特卡罗计算机模拟，研究了将五种甲酰胺模型和三种水模型混合在一起时发生的热力学变化，包括这些模型组合本身的可混溶性。结果表明这两种组分的混合接近于理想的混合，因为混合的能量和熵在整个组成范围内都非常接近理想的项。关于混合的能量，甲酰胺的OPLS / AA-mod模型与其他模型相比，在质量上有不同的表现。因此，该模型得出的结果是负的，而其他模型则综合考虑了所有三个水模型的结果的正能量。实验数据支持后一种行为。尽管混合的亥姆霍兹自由能在整个组成范围内始终为负，但大多数测试模型组合显示出有限的混溶性，或至少非常接近某些组合物的混溶性极限。关于这些模型组合的可混溶性和混合能量，我们建议在水-甲酰胺混合物的模拟中使用CHARMM甲酰胺和TIP4P水模型的组合。

Biomedical Data Integration, Modeling, and Simulation in the Era of Big Data and Translational Medicine

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