Computational refinement of spectroscopic FRET measurements

Alexander Kyrychenko; Mykola V Rodnin; Chiranjib Ghatak; Alexey S Ladokhin

doi:10.1016/j.dib.2017.03.041

Computational refinement of spectroscopic FRET measurements

Data Brief. 2017 Apr 2:12:213-221. doi: 10.1016/j.dib.2017.03.041. eCollection 2017 Jun.

Authors

Alexander Kyrychenko^{1

2}, Mykola V Rodnin², Chiranjib Ghatak², Alexey S Ladokhin²

Affiliations

¹ Institute of Chemistry and School of Chemistry, V. N. Karazin Kharkiv National University, 4 Svobody Square, Kharkiv 61022, Ukraine.
² Department of Biochemistry and Molecular Biology, The University of Kansas Medical Center Kansas City, KS66160-7421, USA.

Abstract

This article supplies raw data related to a research article entitled "Joint refinement of FRET measurements using spectroscopic and computational tools" (Kyrychenko et al., 2017) [1], in which we demonstrate the use of molecular dynamics simulations to estimate FRET orientational factors in a benchmark donor-linker-acceptor system of enhanced cyan (ECFP) and enhanced yellow (EYFP) fluorescent proteins. This can improve the recalculation of donor-acceptor distance information from single-molecule FRET measurements.

Keywords: ECFP; EYFP; FRET; Fluorescent protein; Single molecule, Molecular dynamics simulations.