An Overview on Protein Structure Determination by NMR: Historical and Future Perspectives of the use of Distance Geometry Methods

Fabio C. L. Almeida (), Adolfo H. Moraes () and Francisco Gomes-Neto ()
Additional contact information
Fabio C. L. Almeida: Federal University of Rio de Janeiro, National Center of Nuclear Magnetic Resonance,Institute of Medical Biochemistry
Adolfo H. Moraes: Federal University of Rio de Janeiro, National Center of Nuclear Magnetic Resonance,Institute of Medical Biochemistry
Francisco Gomes-Neto: Federal University of Rio de Janeiro, National Center of Nuclear Magnetic Resonance,Institute of Medical Biochemistry

Chapter Chapter 18 in Distance Geometry, 2013, pp 377-412 from Springer

Abstract: Abstract Determination of the protein high-resolution structures is essential for the understanding of complex biological mechanisms, for the development of biotechnological methods, and for other applications such as drug discovery. Protein structures solved by nuclear magnetic resonance (NMR) rely on a set of semiquantitative short-range distances and angles information. The exploration of the whole conformational space imposed by the experimental restraints is not a computationally simple problem. The lack of precise distances and angles does not allow to find solutions to this problem by fast geometric algorithms. The main idea is to define an atomic model for the protein structure and to exploit all known geometric angle and distance information along with the semi-quantitative short-range experimental information from NMR. We give an overview of the development of computational methods aimed at solving the problem either by metric matrix distance geometry or using other methods such as simulated annealing. We also discuss future demands and perspectives for structural calculations using NMR data. The need of determining larger and more complex protein structures implies the strong necessity of developing new methods for structural calculation with sparse data.

Keywords: Nuclear Magnetic Resonance; Dipolar Coupling; Secondary Structure Element; Conformational Space; Nuclear Magnetic Resonance Experiment (search for similar items in EconPapers)
Date: 2013
References: Add references at CitEc
Citations:

There are no downloads for this item, see the EconPapers FAQ for hints about obtaining it.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-1-4614-5128-0_18

Ordering information: This item can be ordered from
http://www.springer.com/9781461451280

DOI: 10.1007/978-1-4614-5128-0_18

Access Statistics for this chapter

More chapters in Springer Books from Springer
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().