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FAMP: A software framework for FRET-based integrative modelling of RNA
Integrative biomolecular modelling uses experimental data to validate computationally generated structures. We use Förster resonance energy transfer (FRET) as an experimental measure of distance at the molecular level to evaluate collections of de novo predicted ribonucleic acid (RNA) 3D structures. FRET-assisted RNA structure prediction requires a complex interplay of multiple software components. It involves generating an initial RNA 3D model, performing in silico fluorophore labelling, and computing FRET observables from molecular dynamics (MD) trajectories. To automate this workflow, we developed a Python-based computational pipeline that integrates FRET as an experimental constraint for RNA structure validation.
