A computer model to dynamically simulate protein folding: Studies with crambin

Charles Wilson; Sebastian Doniach

doi:10.1002/prot.340060208

journal article Jan 01, 1989

A computer model to dynamically simulate protein folding: Studies with crambin

Charles Wilson Sebastian Doniach

Proteins: Structure, Function, and Bioinformatics Vol. 6 No. 2 pp. 193-209 · Wiley

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Abstract

AbstractThe current work describes a simplified representation of protein structure with uses in the simulation of protein folding. The model assumes that a protein can be represented by a freely rotating rigid chain with a single atom approximately the effect of each side chains. Potentials describing the attraction or repulsion between different types of amino acids are determined directly from the distribution of amino acids in the database of known protein structures. The optimization technique of simulated annealinghas been used to dynamically sample the conformations available to this sample model, allowing the protein to evolve from an extended, random coil into a compact globular structure. Many characteristics expected of true proteins, such as the sequence‐dependent formation of secondary structure, the partitioning of hydrophobic residues, and specific disulfide, suggestion the model may accurately simulate the folding process.

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Metrics

145

Citations

21

References

Details

Published: Jan 01, 1989
Vol/Issue: 6(2)
Pages: 193-209
License: View

Authors

Cite This Article

Charles Wilson, Sebastian Doniach (1989). A computer model to dynamically simulate protein folding: Studies with crambin. Proteins: Structure, Function, and Bioinformatics, 6(2), 193-209. https://doi.org/10.1002/prot.340060208

A computer model to dynamically simulate protein folding: Studies with crambin

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