BIOCE - Bayesian inference of protein conformational ensembles from limited structural data

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Title: BIOCE - Bayesian inference of protein conformational ensembles from limited structural data
DOI: https://doi.org/10.82595/scilifelab.4adce-xa020
Description: A method based on Bayesian statistics that infers conformational ensembles from a structural library generated by all-atom Monte Carlo simulations. The first stage of the method involves a fast model selection approach based on variational Bayesian inference that maximizes the model evidence of the selected ensemble. This is followed by a complete Bayesian inference of population weights in the selected ensemble.
URL: https://bioce.serve.scilifelab.se
Source code: https://github.com/Andre-lab/bioce
Docker image: docker.io/wojtekpotrzebowski/bioce-app:v3
Date submitted: 2026-07-22 15:16
Date updated: 2026-08-20 10:07
Date available: 2026-08-19 21:54
Language: English

Journal article: 10.1371/journal.pcbi.1006641

Potrzebowski, Wojciech

Version 2:
https://doi.org/10.82595/scilifelab.4adce-xa020 current

Version 1:
https://doi.org/10.82595/scilifelab.hxbw2-f0j18

To cite all versions, use the following DOI:
https://doi.org/10.82595/scilifelab.0ca4j-h1415