BiophysicsJournal of the American Chemical SocietyPeer-reviewed
Integrating NMR restraints into coarse-grained simulations: toward accurate conformational ensembles of complex protein systems
Mina Cullen, Carmen Biancaniello, Katerina Taškova…·Alfonso De Simone
This paper introduces Martini3-NMR, a framework that integrates NMR data into coarse-grained simulations to improve the accuracy of protein conformational ensembles.
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