CryoSampler fine-tunes Boltz-2 directly on cryo-EM maps to predict atomic conformational ensembles with higher accuracy than prior methods and shows early signs of generalizing to unseen sequences in the same protein family.
Cryo-em of human p-glycoprotein reveals an intermediate occluded conformation during active drug transport.Nature Communications, 16(1):3619
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Modeling Atomic Conformational Ensembles of Proteins via Test-Time Supervision of Boltz-2 on Cryo-EM Density Maps
CryoSampler fine-tunes Boltz-2 directly on cryo-EM maps to predict atomic conformational ensembles with higher accuracy than prior methods and shows early signs of generalizing to unseen sequences in the same protein family.