Protein Folding Simulations: Numerical Experiments
نویسندگان
چکیده
منابع مشابه
Simulations of Protein Folding
A protein is a linear chain of amino acids. The proteins of natural living organisms are composed of 20 different types of amino acids. A typical protein is a polymer of 300 amino acids, of which there are 20 = 2× 10 different possibilities. The human body uses about 80,000 different proteins for most of its functionality, including structure, communication, transport, and catalysis. The order ...
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Computer simulation holds great promise to significantly complement experiment as a tool for biological and biophysical characterization. Simulations offer the promise of atomic spatial detail with femtosecond temporal resolution. However, the application of computational methodology has been greatly limited due to fundamental computational challenges: put simply, for much of what one would wan...
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Title of dissertation: COMPUTER SIMULATIONS OF PROTEIN FOLDING Aram Davtyan, Doctor of Philosophy, 2013 Dissertation directed by: Professor Garegin A. Papoian Department of Chemistry and Institute for Physical Science and Technology Understanding how proteins fold and interact with each other is key to understanding virtually all biological processes. Recent advances in computer power and model...
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The integration of atomic-resolution experimental and computational methods offers the potential for elucidating key aspects of protein folding that are not revealed by either approach alone. Here, we combine equilibrium NMR measurements of thermal unfolding and long molecular dynamics simulations to investigate the folding of gpW, a protein with two-state-like, fast folding dynamics and cooper...
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ژورنال
عنوان ژورنال: Physics and High Technology
سال: 2011
ISSN: 1225-2336
DOI: 10.3938/phit.20.021