Supported Applications

Sampleworks

Description

is a framework for combining biomolecular structure prediction models with experimental data to generate ensembles of protein conformations. It supports Boltz-1, Boltz-2, Protenix, and RoseTTAFold3, using experimental X-ray density maps and diffraction data to guide structure sampling. This helps researchers explore alternative conformations and better understand the structural flexibility of biomolecules.

Keywords

Computational Chemistry
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