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Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible MetalOrganic Frameworks

机译：用于识别增强分子动力学模拟中精确集体变量的协议，用于柔性金属框架结构变换的描述

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1. Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal-Organic Frameworks [J] . Demuynck Ruben, Wieme Jelle, Rogge Sven M. J., Journal of chemical theory and computation: JCTC . 2018,第11期

机译：用于识别增强分子动力学模拟中的精确集体变量的协议，用于柔性金属 - 有机框架结构变换的描述
2. Accurate description of nitrogenous base flexibility in classical molecular dynamics simulations of nucleotides bound to proteins [J] . Fornili A, Sironi M, Degano M The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2007,第23期

机译：在与蛋白质结合的核苷酸的经典分子动力学模拟中准确描述含氮碱基的柔韧性
3. Molecular Dynamics Phenomena of Water in the Metalorganic Framework MIL-100(AI), as Revealed by Pulsed Field Gradient NMR and Atomistic Simulation [J] . Splith Tobias, Pantatosaki Evangelia, Kolokathis Panagiotis D., The journal of physical chemistry, C. Nanomaterials and interfaces . 2017,第33期

机译：金属有机框架MIL-100（AI）中的水分子动力学现象，如脉冲场梯度NMR和原子模拟所揭示的
4. SHOCK-INDUCED STRUCTURAL PHASE TRANSFORMATIONS STUDIED BY LARGE-SCALE MOLECULAR-DYNAMICS SIMULATIONS [C] . Kai Kadau, Timothy C. Germann, Peter S. Lomdahl, Shock Compression of Condensed Matter―2001 . 2002

机译：大型分子动力学模拟研究的激波结构相变
5. Parallel molecular dynamics simulations of pressure-induced structural transformations in cadmium selenide nanocrystals. [D] . Lee, Nicholas Jabari Ouma. 2005

机译：硒化镉纳米晶体中压力诱导的结构转变的并行分子动力学模拟。
6. Protocol for Identifying Accurate Collective Variablesin Enhanced Molecular Dynamics Simulations for the Description ofStructural Transformations in Flexible Metal–Organic Frameworks [O] . Ruben Demuynck, Jelle Wieme, Sven M. J. Rogge, -1

机译：识别准确的集体变量的协议在增强分子动力学模拟中用于描述柔性金属有机框架的结构转变
7. STRUCTURAL TRANSFORMATIONS OF ICE AT HIGH PRESSURES VIA MOLECULAR DYNAMICS SIMULATIONS(Session III : Complex Fluids, The 1st Tohwa University International Meeting on Statistical Physics Theories, Experiments and Computer Simulations) [O] . Hashimoto T., Sugawara S., Hiwatari Y. 1996

机译：分子动力学模拟在高压下冰的结构转变（第三场：复杂流体，第一届东北大学统计物理理论，实验和计算机模拟国际会议）
8. Dynamics of Structural Phase Transformations Using Molecular Dynamics [R] . Dayal, K 2013

机译：分子动力学的结构相变动力学

Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible MetalOrganic Frameworks

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