Journal article

Entropy calculations on the molten globule state of a protein: side-chain entropies of alpha-lactalbumin.

Abstract:: We present entropy estimates based on molecular dynamics simulations of models of the molten globule state of the protein alpha-lactalbumin at low pH. The entropy calculations use the covariance matrix of atom-positional fluctuations and yield the complete configurational entropy. The configurational entropy of the entire protein and of each of its side chains is calculated. Exposed side chains show a larger entropy compared to buried side chains. A comparison to data from rotamer counting is made and significant differences are found.

Publication status:: Published

Actions

Email

Email this record

Send the bibliographic details of this record to your email address.

Your Email
Please enter the email address that the record information will be sent to.

-
Your message (optional)
Please add any additional information to be included within the email.
Share
Cite

Cite this record

APA Style

Schäfer, H., Smith, L., Mark, A., & van Gunsteren, W. (2002). Entropy calculations on the molten globule state of a protein: side-chain entropies of alpha-lactalbumin. Proteins, 46(2), 215–224.

MLA Style

Schäfer, H, et al. “Entropy Calculations on the Molten Globule State of a Protein: Side-Chain Entropies of Alpha-Lactalbumin.” Proteins, vol. 46, no. 2, 2002, pp. 215–24.

Chicago Style

Schäfer, H, L Smith, A Mark, and W van Gunsteren. 2002. “Entropy Calculations on the Molten Globule State of a Protein: Side-Chain Entropies of Alpha-Lactalbumin.” Proteins 46 (2): 215–24.
Print

Access Document

Publisher copy:: 10.1002/prot.1166

Authors

+ Schäfer, H More by this author

Role:: Author

+ Smith, L More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Inorganic Chemistry
Role:: Author

+ Mark, A More by this author

Role:: Author

+ van Gunsteren, W More by this author

Role:: Author

Journal:: Proteins More from this journal
Volume:: 46
Issue:: 2
Pages:: 215-224
Publication date:: 2002-02-01
DOI:: 10.1002/prot.1166
EISSN:: 1097-0134
ISSN:: 0887-3585

Language:: English
Keywords:: Protein Structure, Secondary

Lactalbumin

Entropy
Pubs id:: pubs:38124
UUID:: uuid:14b57c3f-ae7c-4104-8200-817ed44235c6
Local pid:: pubs:38124
Source identifiers:: 38124
Deposit date:: 2012-12-19
ARK identifier:: ark:/29072/ora_14b57c3fae7c41048200817ed44235c6

Terms of use

Copyright date:: 2002

Licence:: Terms and Conditions of Use for Oxford University Research Archive

Views and Downloads

About 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