Journal article icon

Journal article

Comparison of MD simulations and NMR experiments for hen lysozyme. Analysis of local fluctuations, cooperative motions, and global changes.

Abstract:

Three 1000 ps molecular dynamics simulations of hen lysozyme have been compared with a range of experimental NMR parameters in order to gain insight into the dynamical properties of the protein and to assess the significance of the motional events observed in the simulations. The simulations, one in vacuum and two in water, were used to estimate interproton distances (for comparison with NOE data), 3JHN alpha and 3J alpha beta coupling constants and 1H-15N order parameters. Comparison of thes...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1021/bi00034a026

Authors


More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
Role:
Author
Journal:
Biochemistry
Volume:
34
Issue:
34
Pages:
10918-10931
Publication date:
1995-08-05
DOI:
EISSN:
1520-4995
ISSN:
0006-2960
URN:
uuid:31791db4-8d96-4da3-9375-28f5fd1ae281
Source identifiers:
35652
Local pid:
pubs:35652

Terms of use


Metrics


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP