Conformational Analysis of Polypeptides and Proteins for the Study of Protein Folding, Molecular Recognition, and Molecular Design

  • Harold A. Scheraga
Chapter

Abstract

Conformational energy calculations provide an understanding as to how interatomic interactions lead to the three-dimensional structures of polypeptides and proteins, and how these molecules interact with other molecules. Illustrative results of such calculations pertain to model systems (α-helices and β-sheets, and interactions between them), to various open-chain and cyclic peptides, to fibrous proteins, to globular proteins, and to enzyme-substrate complexes. In most cases, the validity of the computations is established by experimental tests of the predicted structures.

Key words

Internal interactions ribonuclease protein folding conformational energy calculations structural elements of proteins oligopeptides fibrous proteins homologous proteins globular proteins enzyme-substrate complexes 
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Copyright information

© Plenum Press, New York 1986

Authors and Affiliations

  • Harold A. Scheraga
    • 1
  1. 1.Baker Laboratory of ChemistryCornell UniversityIthacaUSA

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