The Glass Transition in Proteins

Jennifer A. Hayward, Torsten Becker and Jeremy C. Smith
Additional contact information
Jennifer A. Hayward: Universität Heidelberg, IWR
Torsten Becker: Universität Heidelberg, IWR
Jeremy C. Smith: Universität Heidelberg, IWR

A chapter in High Performance Computing in Science and Engineering ’02, 2003, pp 503-511 from Springer

Abstract: Abstract The temperature dependence of the internal dynamics of an isolated protein, bovine pancreatic trypsin inhibitor, is examined using normal mode analysis (NMA) and molecular dynamics (MD) simulation. It is found that this model exhibits marked anharmonic dynamics, at temperatures much lower than previously detected in proteins, as evidenced by departure from the harmonic model mean- square displacement. A new method for determining mean-square displacements from elastic incoherent neutron scattering experiments is demonstrated and it is found to be more accurate than the method currently used by experimentalists.

Keywords: Molecular Dynamic; Molecular Dynamic Simulation; Normal Mode Analysis; Bovine Pancreatic Trypsin Inhibitor; Atomic Trajectory (search for similar items in EconPapers)
Date: 2003
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:978-3-642-59354-3_40

Ordering information: This item can be ordered from
http://www.springer.com/9783642593543

DOI: 10.1007/978-3-642-59354-3_40

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 ().