Mining anion–aromatic interactions in the Protein Data Bank
Emilia Kuźniak, Michał Glanowski, Rafał Kurczab, Andrzej J. Bojarski, Robert Podgajny
Abstract
anion-π interactions in the GNRA tetraloop in RNA and protein helical structures. As a purely practical issue of this work, the new code source for the PDB research was produced, tested and made freely available at https://github.com/chemiczny/PDB_supramolecular_search.
Topics & Concepts
Protein Data BankProtein Data Bank (RCSB PDB)MacromoleculeChemistryAromaticityIonMoleculeComputational chemistryComputer scienceComputational biologyCombinatorial chemistryData miningProtein structureStereochemistryBiochemistryBiologyOrganic chemistryProtein Structure and DynamicsMass Spectrometry Techniques and ApplicationsMetabolomics and Mass Spectrometry Studies