This chapter revisits the method to construct the 3D invariant positions (invariant system of coordinates) for a given protein molecule or molecular complex—its premises and purpose, algorithmic details, and opportunities for use. This chapter also proposes the generalized approach, good for any class of molecules or complexes that contain several spatially identical (or nearly identical) subunits.

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The 3D Invariant Positioning for Protein Molecules / Molecular Complexes with Matching Subunits

  • Dmitry R. Leshchiner

摘要

This chapter revisits the method to construct the 3D invariant positions (invariant system of coordinates) for a given protein molecule or molecular complex—its premises and purpose, algorithmic details, and opportunities for use. This chapter also proposes the generalized approach, good for any class of molecules or complexes that contain several spatially identical (or nearly identical) subunits.