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NMR-based modeling and refinement of protein 3D structures

Research output: Chapter in Book/Report/Conference proceeding › Chapter › Academic › peer-review

Abstract

NMR is a well-established method to characterize the structure and dynamics of biomolecules in solution. High-quality structures can now be produced thanks to both experimental advances and computational developments that incorporate new NMR parameters and improved protocols and force fields in the structure calculation and refinement process. In this chapter, we give a short overview of the various types of NMR data that can provide structural information, and then focus on the structure calculation methodology itself. We discuss and illustrate with tutorial examples “classical” structure calculation, refinement, and structure validation approaches.

Original languageEnglish
Title of host publicationMolecular Modeling of Proteins
PublisherHumana Press
Chapter16
Pages351-380
Number of pages30
ISBN (Electronic)978-1-4939-1465-4
ISBN (Print)978-1-4939-1464-7
DOIs
Publication statusPublished - 1 Jan 2015

Publication series

NameMethods in Molecular Biology
Volume1215
ISSN (Print)1064-3745

Bibliographical note

Methods in molecular biology 1215

Keywords

  • NMR
  • Structure calculation
  • Structure refinement
  • Structure validation

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