Open AccessIntermolecular Interactions in G Protein-Coupled Receptor Allosteric Sites at the Membrane Interface from Molecular Dynamics Simulations and Quantum Chemical Calculations
Author(s) -
Tianyi Ding,
Dmitry S. Karlov,
Almudena PinoÁngeles,
Irina G. Tikhonova
Publication year - 2022
Publication title -
journal of chemical information and modeling
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 160
eISSN - 1549-960X
pISSN - 1549-9596
DOI - 10.1021/acs.jcim.2c00788
Subject(s) - allosteric regulation , chemistry , intermolecular force , molecular dynamics , allosteric enzyme , hydrogen bond , ligand (biochemistry) , biophysics , chemical physics , electrostatics , g protein coupled receptor , receptor , molecule , stereochemistry , computational chemistry , biochemistry , biology , organic chemistry
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