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

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Structure and Dynamics of Nucleic Acids, Proteins, and Membranes

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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.

This paper first appeared in the Israel Journal of Chemistry, Vol. 27, 1986.

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Authors and Affiliations

  1. Baker Laboratory of Chemistry, Cornell University, Ithaca, New York, 14853-1301, USA

    Harold A. Scheraga

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  1. Harold A. Scheraga
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Editors and Affiliations

  1. International Business Machines Corporation, Kingston, New York, USA

    Enrico Clementi  & Steven Chin  & 

  2. IBM Corporation, Kingston, New York, USA

    Enrico Clementi  & Steven Chin  & 

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© 1986 Plenum Press, New York

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Scheraga, H.A. (1986). Conformational Analysis of Polypeptides and Proteins for the Study of Protein Folding, Molecular Recognition, and Molecular Design. In: Clementi, E., Chin, S. (eds) Structure and Dynamics of Nucleic Acids, Proteins, and Membranes. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5308-9_1

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  • DOI: https://doi.org/10.1007/978-1-4684-5308-9_1

  • Publisher Name: Springer, Boston, MA

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