26–28 Apr 2022
Europe/Berlin timezone
Thank you for your participation. We greatly enjoyed it.

Interactive TEMPy

Not scheduled
2h
CFEL

CFEL

Poster CDL3 (Systems Biology) Poster session with buffet

Speaker

Thomas Mulvaney (FS-CS (CSSB-Geschaeftsstelle))

Description

Cryo-EM is a popular technique for understanding the structure of biological molecules. At intermediate resolutions (worse than ~4.5 Å), building and assessing the quality of atomic models derived from cryo-EM data is particularly difficult. At this resolution range, existing X-ray models or models derived from machine-learning based structure prediction approaches such as AlphaFold2 offer information about local geometry, but may require adjustment to be well fit to the cryo-EM data. Interactive TEMPy is a plugin for ChimeraX which facilitates fitting such models to density maps using a variety of methods.
The combination of manual placement, global search and density-based fitting offers a flexible platform for model refinement.
Integration with RIBFIND offers a flexible approach to decomposing structures hierarchically, a method which has seen success in automated fitting tools such as Flex-EM.

Primary authors

Maya Topf (CSSB (Centre for Structural Systems Biology), UKE/HPI) Thomas Mulvaney (FS-CS (CSSB-Geschaeftsstelle)) Dr Tristan Cragnolini (Birkbeck / UCL University of London)

Presentation materials

There are no materials yet.