IDP NMR Lab (@idpnmrlab.bsky.social)

Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and Clustering By merging advanced dimensionality reduction (DR) and clustering algorithm (CA) techniques, our study advances the sampling procedure for predicting NMR chemical shifts (CS) in intrinsically disordere... https://pubs.acs.org/doi/10.1021/acs.jcim.4c00809