SpringerProtocols: Abstract: 10. Molecular Dynamics Simulations of Protein Unfolding/Folding

10. Molecular Dynamics Simulations of Protein Unfolding/Folding

By: Valerie Daggett²

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Major developments in the last decade have made it possible to study entire folding pathways at the level of individual residues and atoms. This is largely the result of developments in two areas that bring together complementary experimental and theoretical approaches. The first is the use of recombinant DNA methods to produce small proteins with desirable characteristics for the study of folding. This technology also allows the production of mutants to probe the folding process and examine the contributions of individual residues to the kinetics and thermodynamics of folding. The second is the development of molecular dynamics methods and the parallel advances in computing that make it possible to simulate protein denaturation at atomic resolution.

Affiliation(s): (2) Department of Medicinal Chemistry, University of Washington, Seattle, WA

Book Title: Protein Structure, Stability, and Folding

Series: Methods in Molecular Biology | Volume: 168 | Pub. Date: Apr-01-2001 | Page Range: 215-247 | DOI: 10.1385/1-59259-193-0:215

Subject: Protein Science

References

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