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Conformational Analysis of Polypeptides and Proteins for the Study of Protein Folding, Molecular Recognition, and Molecular Design
Author(s) -
Scheraga Harold A.
Publication year - 1986
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198600023
Subject(s) - chemistry , globular protein , folding (dsp implementation) , molecule , protein folding , protein design , molecular recognition , computational chemistry , protein structure , biophysics , crystallography , chemical physics , biochemistry , organic chemistry , electrical engineering , biology , engineering
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.