Defining topologigical equivalences in macromolecules

Naidu Subbarao, I. Haneef · Protein Engineering Design and Selection · 1991

We describe a completely automated and objective method for defining topological equivalents in macromolecules. The method is based on well established techniques for identifying topologically and topographically equivalent atoms in small molecules and has been used in structural alignment of proteins and RNA molecules, and to extract fragments of molecules (protein secondary structures and RNA and DNA double helices) from structural databases consistent with some specified template structure.

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