Prediction of Protein Structure Using Surface Accessibility Data

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Abstract: An approach to the de novo structure prediction of proteins is described that relies on surface accessibility data from NMR paramagnetic relaxation enhancements by a soluble paramagnetic compound (sPRE). This method exploits the distance‐to‐surface information encoded in the sPRE data in the chemical shift‐based CS‐Rosetta de novo structure prediction framework to generate reliable structural models. For several proteins, it is demonstrated that surface accessibility data is an excellent measure of the correct protein fold in the early stages of the computational folding algorithm and significantly improves accuracy and convergence of the standard Rosetta structure prediction approach.

Location: Deutsche Nationalbibliothek Frankfurt am Main

Extent: Online-Ressource

Language: Englisch

Bibliographic citation: Prediction of Protein Structure Using Surface Accessibility Data ; volume:55 ; number:39 ; year:2016 ; pages:11970-11974 ; extent:5
Angewandte Chemie / International edition. International edition ; 55, Heft 39 (2016), 11970-11974 (gesamt 5)

Creator: Hartlmüller, Christoph
Göbl, Christoph
Madl, Tobias

DOI: 10.1002/anie.201604788

URN: urn:nbn:de:101:1-2022101308134542158597

Rights: Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.

Last update: 15.08.2025, 7:34 AM CEST

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Associated

Hartlmüller, Christoph
Göbl, Christoph
Madl, Tobias

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Prediction of Protein Structure Using Surface Accessibility Data

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Prediction of Protein Structure Using Surface Accessibility Data

Prediction of Protein Structure Using Surface Accessibility Data

Accurate prediction of protein secondary structure and solvent accessibility by consensus combiners of sequence and structure information

Accurate prediction of protein secondary structure and solvent accessibility by consensus combiners of sequence and structure information

Accurate prediction of protein relative solvent accessibility using a balanced model

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Real value prediction of protein solvent accessibility using enhanced PSSM features

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Protein structure prediction : concepts and applications

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Prediction of Protein Structure Using Surface Accessibility Data

Prediction of Protein Structure Using Surface Accessibility Data

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Accurate prediction of protein relative solvent accessibility using a balanced model

Accurate prediction of protein relative solvent accessibility using a balanced model

Real value prediction of protein solvent accessibility using enhanced PSSM features

Real value prediction of protein solvent accessibility using enhanced PSSM features

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Protein structure prediction : concepts and applications

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Structure and Accessibility of Fitness Landscapes

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Nuclear actin structure regulates chromatin accessibility

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