Two Methods for Superposing the Structures of Like-Molecule Assemblies: Application to Peptide and Protein Oligomers and Aggregates

Two algorithms are proposed for the superposition of assemblies of like molecules (e.g., peptide and proteins homooligomers and homoaggregates), which do not require examining all permutations of the molecules. Both start from searching the mutual orientation of the two assemblies over a grid of qua...

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Bibliographic Details
Main Authors: Adam Liwo, Mateusz Leśniewski
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/30/5/1156
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