Protein Folding in Silico

Protein Folding Versus Protein Structure Prediction

Edited by

  • Irena Roterman-Konieczna, Jagiellonian University Medical College

Protein folding is a process by which a protein structure assumes its functional shape of conformation, and has been the subject of research since the publication of the first software tool for protein structure prediction. Protein folding in silico approaches this issue by introducing an ab initio model that attempts to simulate as far as possible the folding process as it takes place in vivo, and attempts to construct a mechanistic model on the basis of the predictions made. The opening chapters discuss the early stage intermediate and late stage intermediate models, followed by a discussion of structural information that affects the interpretation of the folding process. The second half of the book covers a variety of topics including ligand binding site recognition, the "fuzzy oil drop" model and its use in simulation of the polypeptide chain, and misfolded proteins. The book ends with an overview of a number of other ab initio methods for protein structure predictions and some concluding remarks.
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Those in the bio-sciences field: biochemistry, biotechnology, computer aided drug design, medical biochemistry and bioinformatics


Book information

  • Published: October 2012
  • Imprint: Woodhead Publishing
  • ISBN: 978-1-907568-17-6

Table of Contents

The early-stage intermediate; The late-stage intermediate; Structural information involved in the interpretation of the stepwise protein folding process; The divergence entropy characterizing the internal force field in proteins; Ligand-binding-site recognition; Use of the “fuzzy oil drop” model to identify the complexation area in protein homodimers; Simulation of the polypeptide chain folding process using the “fuzzy oil drop” model; Misfolded proteins; A short description of other selected ab initio methods for protein structure prediction; Conclusion.