WikiSysop: Created page with "== Citation == Włodarski, Tomasz / Streit, Julian O. / Mitropoulou, Alkistis / Cabrita, Lisa D. / Vendruscolo, Michele / Christodoulou, John. Bayesian reweighting of biomolecular structural ensembles using heterogeneous cryo-EM maps with the cryoENsemble method. 2024. Scientific Reports, Vol. 14, No. 1, p. 18149 == Abstract == Cryogenic electron microscopy (cryo-EM) has emerged as a powerful method for the determination of structures of complex biological molecules...."

2024-08-21T06:09:11Z

Created page with "== Citation == Włodarski, Tomasz / Streit, Julian O. / Mitropoulou, Alkistis / Cabrita, Lisa D. / Vendruscolo, Michele / Christodoulou, John. Bayesian reweighting of biomolecular structural ensembles using heterogeneous cryo-EM maps with the cryoENsemble method. 2024. Scientific Reports, Vol. 14, No. 1, p. 18149 == Abstract == Cryogenic electron microscopy (cryo-EM) has emerged as a powerful method for the determination of structures of complex biological molecules...."

New page

== Citation ==

Włodarski, Tomasz / Streit, Julian O. / Mitropoulou, Alkistis / Cabrita, Lisa D. / Vendruscolo, Michele / Christodoulou, John. Bayesian reweighting of biomolecular structural ensembles using heterogeneous cryo-EM maps with the cryoENsemble method. 2024. Scientific Reports, Vol. 14, No. 1, p. 18149

== Abstract ==

Cryogenic electron microscopy (cryo-EM) has emerged as a powerful method for the determination
of structures of complex biological molecules. The accurate characterisation of the dynamics of such
systems, however, remains a challenge. To address this problem, we introduce cryoENsemble, a
method that applies Bayesian reweighting to conformational ensembles derived from molecular
dynamics simulations to improve their agreement with cryo-EM data, thus enabling the extraction
of dynamics information. We illustrate the use of cryoENsemble to determine the dynamics of the
ribosome-bound state of the co-translational chaperone trigger factor (TF). We also show that
cryoENsemble can assist with the interpretation of low-resolution, noisy or unaccounted regions of
cryo-EM maps. Notably, we are able to link an unaccounted part of the cryo-EM map to the presence
of another protein (methionine aminopeptidase, or MetAP), rather than to the dynamics of TF, and
model its TF-bound state. Based on these results, we anticipate that cryoENsemble will find use
for challenging heterogeneous cryo-EM maps for biomolecular systems encompassing dynamic
components.

== Keywords ==

== Links ==

https://www.nature.com/articles/s41598-024-68468-7

== Related software ==

== Related methods ==

== Comments ==

2024Wlodarski cryoEnsemble - Revision history