Conformational ensembles of flexible multidomain proteins: How close are we to accurate and reliable predictions?
Santiago Rodriguez, Aurélie Fournet, Bartels Simon, Mátyás Pajkos, Ilinka Clerc, Laure Carriere, Aurélien Thureau, Cédric Montanier, Claire Dumon, Frédéric Allemand, Juan Cortés, Pau Bernadó
This study evaluates five computational methods for modeling conformational ensembles of flexible multidomain proteins using SAXS data, highlighting discrepancies and biases in their predictions.
Biophysical Journal · Aug 26, 2026Peer-reviewedBiophysics