TY  - JOUR
AU  - Dimura, Mykola
AU  - Ottavio Peulen, Thomas
AU  - Sanabria, Hugo
AU  - Rodnin, Dmitro
AU  - Hemmen, Katherina
AU  - Seidel, Claus A. M.
AU  - Gohlke, Holger
TI  - Automated and Optimally FRET-Assisted Structural Modeling
JO  - Biophysical journal
VL  - 116
IS  - 3, Suppl 1
SN  - 0006-3495
CY  - Bethesda, Md.
PB  - Soc.
M1  - FZJ-2020-00301
SP  - 333a -
PY  - 2019
AB  - FRET experiments can yield state-specific structural information on complex dynamic biomolecular assemblies. However, FRET experiments need to be combined with computer simulations to overcome their sparsity. We introduce (i) an automated FRET experiment design tool determining optimal FRET pairs for structural modeling, (ii) a protocol for efficient FRET-assisted computational structural modeling at multiple scales, and (iii) a quantitative quality estimate for judging the accuracy of determined structures. We tested against simulated and experimental data.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000460779801663
DO  - DOI:10.1016/j.bpj.2018.11.1815
UR  - https://juser.fz-juelich.de/record/872831
ER  -