Deeper Insight of the Conformational Ensemble of Intrinsically Disordered Proteins
Svensson, Oskar, Bakker, Michael J., Skepö, Marie
Published in Journal of chemical information and modeling (12.08.2024)
Published in Journal of chemical information and modeling (12.08.2024)
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Journal Article
Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach
Bakker, Michael J, Mládek, Arnošt, Semrád, Hugo, Zapletal, Vojt ch, Pavlíková P ececht lová, Jana
Published in Physical chemistry chemical physics : PCCP (23.11.2022)
Published in Physical chemistry chemical physics : PCCP (23.11.2022)
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Journal Article
Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and Clustering
Bakker, Michael J., Gaffour, Amina, Juhás, Martin, Zapletal, Vojtěch, Stošek, Jakub, Bratholm, Lars A., Pavlíková Přecechtělová, Jana
Published in Journal of chemical information and modeling (26.08.2024)
Published in Journal of chemical information and modeling (26.08.2024)
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Journal Article