Abstract
One of the fundamental tools of the molecular topology program is the GSTE principle: geometrical similarity is treated as topological equivalence. The molecular topology (MT) approach to the description of molecules and the reaction topology (RT) approach to the description of reactions are the two main aspects of the topology program (TP), a research program for the reformulation and description of some basic concepts of chemistry within a differential and algebraic topological framework. In this report, a new application of the GSTE principle to the shape analysis of chain molecules, in particular, of chain biomolecules is described, with special emphasis on the dynamic aspects of conformational changes and folding processes of proteins.
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Mezey, P.G. Topological shape analysis of chain molecules: An application of the GSTE principle. J Math Chem 12, 365–373 (1993). https://doi.org/10.1007/BF01164644
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DOI: https://doi.org/10.1007/BF01164644