ArticlebioRxiv : the preprint server for biology2025
Bayesian multi-state multi-condition modeling of a protein structure based on X-ray crystallography data.
Article in bioRxiv : the preprint server for biology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 authors.
Funding
Abstract
An atomic structure model of a protein can be computed from a diffraction pattern of its crystal. While most crystallographic studies produce a single set of atomic coordinates, the billions of protein molecules in a crystal sample many conformational modes during data collection. As a result, a 'multi-state' model that depicts these conformations could reproduce the X-ray data better than a single conformation, and thus likely be more accurate. Computing such a multi-state model is challenging due to a lower data-to-parameter ratio than that for single-state modeling. To address this challenge, additional information could be considered, such as X-ray datasets collected for the same system under distinct experimental conditions (
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