In silico FRET from simulated dye dynamics

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Single molecule fluorescence resonance energy transfer (smFRET) experiments probe molecular distances on the nanometer scale. In such experiments, distances are recorded from FRET transfer efficiencies via the Förster formula, E = 1 / ( 1 + ( R / R 0 ) 6 ) . The energy transfer however also depends on the mutual orientation of the two dyes used as distance reporter. Since this information is typically inaccessible in FRET experiments, one has to rely on approximations, which reduce the accura... Title of program: md2fret Catalogue Id: AENV_v1_0 Nature of problem Simulation and interpretation of single molecule FRET experiments. Versions of this program held in the CPC repository in Mendeley Data AENV_v1_0; md2fret; 10.1016/j.cpc.2012.10.018本程序源自贝尔法斯特女王大学（Queen's University Belfast）馆藏的CPC程序库（1969-2018）。 摘要 单分子荧光共振能量转移（single molecule fluorescence resonance energy transfer, smFRET）实验可探测纳米尺度下的分子间距。此类实验中，研究人员可通过福斯特公式（Förster formula）由FRET转移效率计算得到分子间距：$E = 1 / (1 + (R/R_0)^6)$。然而，能量转移效率同时取决于作为距离探针的两种染料的相对取向。由于FRET实验通常无法获取该取向信息，因此不得不采用近似方法，这会降低计算精度…… 程序名称：md2fret 目录编号：AENV_v1_0 问题属性 单分子FRET实验的模拟与解释。 本程序在孟德雷数据集（Mendeley Data）的CPC库中的存档版本为：AENV_v1_0；md2fret；10.1016/j.cpc.2012.10.018