Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes

Martin J Field; Troy W Wymore

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Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes

机译：神经剂水解机制的多尺度建模：两个诺贝尔奖的故事

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The 2013 Nobel Prize in Chemistry was awarded for the development of multiscale models for complex chemical systems, whereas the 2013 Peace Prize was given to the Organisation for the Prohibition of Chemical Weapons for their efforts to eliminate chemical warfare agents. This review relates the two by introducing the field of multiscale modeling and highlighting its application to the study of the biological mechanisms by which selected chemical weapon agents exert their effects at an atomic level.

机译：2013年诺贝尔化学奖是由于开发复杂化学系统的多尺度模型而获得的，而2013年和平奖则授予了禁止化学武器组织以消除化学战剂的努力。这篇综述通过介绍多尺度建模领域并将其应用于研究某些化学武器剂在原子水平上发挥作用的生物学机制，将两者联系起来。

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《Physica Scripta: An International Journal for Experimental and Theoretical Physics》 |2014年第10期|共11页
作者
Martin J Field; Troy W Wymore;
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正文语种 eng
中图分类物理学;
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2013 Nobel Prizes; chemical weapons; complex chemical systems; multiscale modeling; numerical simulation; organization for the prohibition of chemical weapons;

机译：2013诺贝尔奖;化学武器;复杂的化学系统;多尺度建模;数值模拟;禁止化学武器组织;

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1. Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes [J] . Martin J Field, Troy W Wymore Physica Scripta: An International Journal for Experimental and Theoretical Physics . 2014,第10期

机译：神经剂水解机制的多尺度建模：两个诺贝尔奖的故事
2. The nobel prize in chemistry 2013 for the development of multiscale models of complex chemical systems: A tribute to Martin Karplus, Michael Levitt and Arieh Warshel [J] . HodakH. Journal of Molecular Biology . 2014,第1期

机译：由于开发了复杂化学系统的多尺度模型而获得了2013年诺贝尔化学奖：向Martin Karplus，Michael Levitt和Arieh Warshel致敬
3. Lock and key-based nanozyme model to understand the substituent effect on the hydrolysis of organophosphate-based nerve agents by Zr-incorporated cerium oxide [J] . Khulbe Kritika, Mugesh Govindasamy Polyhedron: The International Journal for Inorganic and Organometallic Chemistry . 2019,第期

机译：锁定和基于钥匙的纳佐模型，了解ZR掺入氧化铈对有机磷神经试剂水解的取代基效应
4. RECONSTRUCTION OF THE ACTIVE SITE OF A BACTERIAL PHOSPHOTRIESTERASE FOR THE CATALYTIC HYDROLYSIS AND DETOXIFICATION OF ORGANOPHOSPHATE NERVE AGENTS [C] . Frank M. Raushel, Andrew N. Bigley Conference on biochemical and molecular engineering . 2019

机译：重建细菌磷酸酯酶活性位点以催化有机磷酸酯酶的水解和解毒
5. Computational Modeling of Metal-Organic Frameworks for the Catalytic Hydrolysis of Nerve Agents and Their Simulants [D] . Mendonca, Matthew L. 2020

机译：金属有机框架的计算模拟神经剂催化水解及其模拟剂
6. Hydrolysis of Nerve Agents by Model Nucleophiles: A Computational Study [O] . Jeremy M. Beck, Christopher M. Hadad -1

机译：模型亲核试剂水解神经活性剂的计算研究。
7. The Nobel Prize in Chemistry 2013 for the Development of Multiscale Models of Complex Chemical Systems: A Tribute to Martin Karplus, Michael Levitt and Arieh Warshel [O] . Hodak Hélène 2014

机译：开发复杂化学系统的多尺度模型而获得2013年诺贝尔化学奖：致敬Martin Karplus，Michael Levitt和Arieh Warshel

Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes

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