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1.
Kolloff, C.* et al.: Minimum-excess-work guidance: Score-based sampling with experimental data or sparse restraints. J. Chem. Theory Comput. 22:5838–5848 (2026)
2.
Calonaci, N.* ; Bernetti, M.* ; Jones, A. ; Sattler, M. & Bussi, G.*: Molecular dynamics simulations with grand-canonical reweighting suggest cooperativity effects in RNA structure probing experiments.  J. Chem. Theory Comput. 19, 3672-3685 (2023)
3.
Leung, H.T.A.* et al.: A rigorous and efficient method to reweight very large conformational ensembles using average experimental data and to determine their relative information content. J. Chem. Theory Comput. 12, 383-394 (2016)
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