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Effects of implicit solvent and relaxed amino acid side chains on the MP2 and DFT calculations of ligand–protein structure and electronic interaction energies of dopaminergic ligands in the SULT1A3 enzyme active site

Protein ChemistryEngineeringBiochemistryActive SiteConformational StudyDopaminergic LigandsStructure-function Enzyme KineticsComputational ChemistryImplicit SolventMolecular DockingBiomolecular Engineering