Recent Advances in NMR Protein Structure Prediction with ROSETTA

Nuclear magnetic resonance (NMR) spectroscopy is a powerful method for studying the structure and dynamics of proteins in their native state. For high-resolution NMR structure determination, the collection of a rich restraint dataset is necessary. This can be difficult to achieve for proteins with h...

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Veröffentlicht in:	International journal of molecular sciences 2023-04, Vol.24 (9), p.7835
Hauptverfasser:	Koehler Leman, Julia, Künze, Georg
Format:	Artikel
Sprache:	eng
Schlagworte:	Accuracy Algorithms Amino acids Analysis Biology chemical shifts Computer applications Computer simulation Computer-generated environments Datasets Deuterium Dynamic structural analysis Hydrogen Hydrogen-deuterium exchange Magnetic Resonance Imaging Magnetic Resonance Spectroscopy - methods Models, Molecular molecular modeling Molecular weight Neural networks NMR NMR spectroscopy Nuclear magnetic resonance Nuclear magnetic resonance spectroscopy Nuclear Magnetic Resonance, Biomolecular - methods Peptides Protein Conformation Protein structure Protein structure prediction Proteins Proteins - chemistry Protocol residual dipolar couplings Review Rosetta Software Software packages Spectroscopy
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Beschreibung
Zusammenfassung:	Nuclear magnetic resonance (NMR) spectroscopy is a powerful method for studying the structure and dynamics of proteins in their native state. For high-resolution NMR structure determination, the collection of a rich restraint dataset is necessary. This can be difficult to achieve for proteins with high molecular weight or a complex architecture. Computational modeling techniques can complement sparse NMR datasets (
ISSN:	1422-0067 1661-6596 1422-0067
DOI:	10.3390/ijms24097835