In silico FRET from simulated dye dynamics

Published: 1 March 2013| Version 1 | DOI: 10.17632/nv4hdnvhzd.1
Martin Hoefling, Helmut Grubmüller


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



Physical Chemistry, Molecular Physics, Statistical Physics, Computational Physics, Thermodynamics