All-Atom Protein Folding with Free-Energy Forcefields

All-Atom Protein Folding with Free-Energy Forcefields

Proteins are the workhorses of all cellular life. They constitute the building blocks and the machinery of all cells. DNA carries the genetic information which encodes the production of protein molecules. The triplet genetic code by which the DNA sequence determines the amino acid sequence of polype...

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Bibliographic Details
Published in:Molecular Biology of Protein Folding, Part A Vol. 83; pp. 181 - 253
Main Authors: Verma, A., Gopal, S.M., Schug, A., Herges, T., Klenin, K., Wenzel, W.
Format: Book Chapter Journal Article
Language:English
Published: United States Elsevier Science & Technology 2008
Subjects:
Animals
Computer Simulation
Humans
Kinetics
MEDICINE
Models, Molecular
Molecular biology
Protein Folding
Proteins
Proteins - chemistry
Proteins - metabolism
Thermodynamics
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Summary:Proteins are the workhorses of all cellular life. They constitute the building blocks and the machinery of all cells. DNA carries the genetic information which encodes the production of protein molecules. The triplet genetic code by which the DNA sequence determines the amino acid sequence of polypeptide chains is well understood. However, unfolded polypeptide chains lack most of the properties needed for their biological function. There are large number of related questions, for instance, regarding the interactions of a given protein with a large variety of other proteins, where theoretical methods could also contribute to our understanding of biological function. Protein–protein interactions govern the cell signaling processes and are very important for the assembly of large protein structures in the cell. The ultimate, very long-range goal of protein structure theory would be the development of methods to design proteins for a specific function. This would be very helpful for medical purposes and technological applications in nanobiology, but will require an understanding of various factors that influence the folding of the polypeptide and their sequence determinants.
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ISBN:0123745942
9780123745941
ISSN:1877-1173
1878-0814
DOI:10.1016/S0079-6603(08)00605-3