Abstract
A new and very simple representation of protein conformations has been used together with energy minimisation and thermalisation to simulate protein folding. Under certain conditions, the method succeeds in ‘renaturing’ bovine pancreatic trypsin inhibitor from an open-chain conformation into a folded conformation close to that of the native molecule.
This is a preview of subscription content, access via your institution
Relevant articles
Open Access articles citing this article.
-
Estimation of model accuracy by a unique set of features and tree-based regressor
Scientific Reports Open Access 18 August 2022
-
Improving fragment-based ab initio protein structure assembly using low-accuracy contact-map predictions
Nature Communications Open Access 18 August 2021
-
Resource-efficient quantum algorithm for protein folding
npj Quantum Information Open Access 17 February 2021
Access options
Subscribe to this journal
Receive 51 print issues and online access
$199.00 per year
only $3.90 per issue
Rent or buy this article
Get just this article for as long as you need it
$39.95
Prices may be subject to local taxes which are calculated during checkout
References
Anfinsen, C. B., Science, 181, 223–230 (1973).
Schulz, G. E., Barry, C. D., Friedman, J., Chou, P. Y., Fasman, G. D., Finkelstein, A. V., Lim, V. I., Ptitsyn, O. B., Kabat, E. A., Wu, T. T., Levitt, M., Robson, B., Nagano, K., Nature, 250, 140–142 (1974).
Scheraga, H. A., in Current topics in biochemistry (edit. by Anfinsen, C. B., and Schechter, A. N.), 1–42 (Academic, New York, 1974).
Ptitsyn, O. B., Vestnik Akad. Nauk S.S.S.R., 5, 57–68 (1973).
Flory, P. J. in Statistical Mechanics of Chain Molecules, 248–306 (Wiley, New York, 1969).
Hill, T. L., in Statistical Mechanics, 15–17 (McGraw-Hill, New York, 1956).
Nozaki, Y., and Tanford, C., J. biol. Chem., 246, 2211–2217 (1971).
Simon, E. M., Biopolymers, 10, 973–989 (1971).
Huber, R., Kukla, D., Ruhlmann, A., and Steigemann, W., Cold Spring Harbor Symp. quant. Biol., 36, 141–148 (1971).
Creighton, T. E., J. molec. Biol., 87, 603–624 (1974).
Phillips, D. C., in British Biochemistry, Past and Present (edit. by Goodwin, T. W.), 11–28 (Academic, London, 1970).
Levitt, M., and Lifson, S., J. molec. Biol., 46, 269–279 (1969).
Warme, P. K., and Scheraga, H. A., Biochemistry, 13, 757–767 (1974).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Levitt, M., Warshel, A. Computer simulation of protein folding. Nature 253, 694–698 (1975). https://doi.org/10.1038/253694a0
Received:
Revised:
Published:
Issue Date:
DOI: https://doi.org/10.1038/253694a0
This article is cited by
-
Estimation of model accuracy by a unique set of features and tree-based regressor
Scientific Reports (2022)
-
Resource-efficient quantum algorithm for protein folding
npj Quantum Information (2021)
-
Improving fragment-based ab initio protein structure assembly using low-accuracy contact-map predictions
Nature Communications (2021)
-
Quantitative magnetic resonance imaging of brain anatomy and in vivo histology
Nature Reviews Physics (2021)
-
Molecular dynamics simulation of proton-transfer coupled rotations in ATP synthase FO motor
Scientific Reports (2020)
Comments
By submitting a comment you agree to abide by our Terms and Community Guidelines. If you find something abusive or that does not comply with our terms or guidelines please flag it as inappropriate.
