MembraneDyn: simulating the dynamics of supported membrane stacks on the nanosecond timescale

Hayward Dominic W.; Jaksch Sebastian; Fomina MargaritaDubey Purushottam S.Frielinghaus HenrichHolderer OlafMonkenbusch Michael

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MembraneDyn: simulating the dynamics of supported membrane stacks on the nanosecond timescale

机译：MembraneDyn：在纳秒时间尺度上模拟支撑膜堆的动力学

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The static structure factor and the undulation dynamics of a solid-supported membrane stack have previously been calculated by Romanov and Ul'yanov [Romanov & Ul'yanov (2002). Phys. Rev. E, 66, 061701]. Based on this prior work, the calculation has been extended to cover the membrane dynamics, i.e. the intermediate scattering function as a Fourier transform of the van Hove correlation function of the membrane stack. Fortran code which calculates the intermediate scattering function for a membrane stack on a solid support is presented. It allows the static and dynamic scattering functions to be calculated according to the derivation of Romanov and Ul'yanov. The physical properties of supported phospholipid bilayers can be examined in this way and the results can be directly compared with results obtained from grazing-incidence neutron spin-echo spectroscopy experiments.

机译：静态结构因素和波动solid-supported膜动力学堆栈以前被罗曼诺夫和计算Ul 'yanov[罗曼诺夫& Ul 'yanov(2002)。E, 66, 061701]。计算已扩展到覆盖膜动力学,即中间散射函数的傅里叶变换范霍夫膜的相关函数堆栈。中间膜的散射函数堆在一个坚实的支持。静态和动态散射函数根据罗曼诺夫的推导计算和Ul 'yanov。支持磷脂影响可以检查以这种方式,结果可以直接相比之下,结果掠入射中子旋转回声光谱学实验。

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《Acta crystallographica. Section D, Structural biology》 |2022年第10期|1249-1258|共10页
作者
Hayward Dominic W.; Jaksch Sebastian; Fomina MargaritaDubey Purushottam S.Frielinghaus HenrichHolderer OlafMonkenbusch Michael;
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Julich Ctr Neutron Sci,Forschungzentrum Julich;

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MembraneDyn: simulating the dynamics of supported membrane stacks on the nanosecond timescale

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