10 November 2023
DESY
Europe/Berlin timezone

Shaking out Intrinsic Structural Variation in Femtosecond Protein Crystallography using Deep Learning

10 Nov 2023, 12:30
1h 20m
FLASH seminar room (DESY)

FLASH seminar room

DESY

Speaker

Samuel Flewett (FS-SC (Scientific computing))

Description

Current femtosecond crystallography data processing routines such as CrystFEL by T. White generally assume that identical molecular structure for each of the tens of thousands of protein crystals used. This assumption is however known to be unphysical, and with the recent development of deep learning technology, we are exploring whether we can build a net capable of shaking out the subtle structural variation information hidden behind a cloud of noise. We report progress on the development of a variational autoencoder, with an architecture inspired both from work in particle physics and Cryo EM.

Primary authors

Mads Bregenholt Jakobsen (FS-SC (Scientific computing)) Samuel Flewett (FS-SC (Scientific computing)) Dr Thomas White (FS-SC)

Presentation materials

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