FAMP: A Software Framework for FRET-Based Integrative Modeling of RNA
Integrative biomolecular modeling uses experimental data to validate computationally generated struc-tures. We use Fo¨rster-Resonance-Energy transfer (FRET) as an experimental distance measure on the molecular level to evaluate de novo predicted ribonucleic acid (RNA) 3D structure collections. FRET-assisted RNA structure prediction requires an intricate interplay of multiple software components. It involves generating an initial RNA 3D model, performing in silico fluorophore labeling, and computing FRETobservables from molecular dynamics (MD) trajectories. To automate this workflow, we developed a Python-based computational pipeline that integrates FRETas an experimental constraint for RNA structure validation.
