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. 2022 Sep 6;12(9):1393. doi: 10.3390/life12091393
AA All Atom
β2AR Beta2 Adrenergic Receptor
pKd Binding Affinity
BFE Binding Free Energy
GPCR Guanine Nucleotide-Binding Protein Coupled Receptor
DFT Density-Functional Theory
FF Force Field
L-DOPA Levodopa
MD Molecular Dynamics
PD Parkinson’s Disease
QM Quantum Mechanical