Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and Clustering

Author:

Bakker Michael J.1ORCID,Gaffour Amina1,Juhás Martin12ORCID,Zapletal Vojtěch1,Stošek Jakub13,Bratholm Lars A.4ORCID,Pavlíková Přecechtělová Jana1ORCID

Affiliation:

1. Faculty of Pharmacy in Hradec Králové, Charles University, Akademika Heyrovského 1203/8, 500 05 Hradec Králové, Czech Republic

2. Department of Chemistry, Faculty of Science, University of Hradec Králové, Rokitanského 62, 500 03 Hradec Králové, Czech Republic

3. Department of Chemistry, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno, Czech Republic

4. School of Chemistry, University of Bristol, Cantock’s Close, BS8 1TS Bristol, U.K.

Funder

Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy

Grantov? Agentura Cesk? Republiky

Univerzita Karlova v Praze

Grantov? Agentura, Univerzita Karlova

Univerzita Hradec Kr?lov?

Publisher

American Chemical Society (ACS)

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