FRETsg: Biomolecular structure model building from multiple FRET experiments

Abstract Fluorescence energy transfer (FRET) experiments of site-specifically labelled proteins allow one to determine distances between residues at the single molecule level, which provide information on the three-dimensional structural dynamics of the biomolecule. To systematically extract this information from the experimental data, we describe a program that generates an ensemble of configurations of residues in space that agree with the experimental distances between these positions. Furthermore,... Title of program: FRETsg Catalogue Id: ADTU_v1_0 Nature of problem Given an arbitrary number of distances distributions between an arbitrary number of points in three-dimensional space, find all configurations (set of coordinates) that obey the given distances. Versions of this program held in the CPC repository in Mendeley Data ADTU_v1_0; FRETsg; 10.1016/j.cpc.2004.02.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要 针对位点特异性标记蛋白质开展的荧光能量转移（Fluorescence energy transfer, FRET）实验，可在单分子水平上测定氨基酸残基间的距离，进而获取该生物大分子的三维结构动力学信息。为系统性地从实验数据中提取此类信息，本文介绍一款程序，其能够生成空间中氨基酸残基的构象集合，使其与这些位点间的实验距离相契合。此外……
程序名称：FRETsg
目录编号：ADTU_v1_0
问题本质：给定三维空间中任意数量的点之间的任意数量的距离分布，找出所有满足给定距离约束的构象（即坐标集合）。
本程序的存档版本收录于Mendeley数据的CPC程序库中，相关信息为ADTU_v1_0；FRETsg；DOI:10.1016/j.cpc.2004.02.001。
本程序源自贝尔法斯特女王大学维护的CPC程序库（1969-2018年）。