ADME	Absorption, Distribution, Metabolism, and Excretion
AMBER	Assisted Model Building with Energy Refinement
COVID	Coronavirus Disease
DIBAL-H	Diisobutylaluminium Hydride
DMSO	Dimethyl Sulfoxide
DNA	Deoxyribonucleic Acid
DTT	Dithiothreitol
EDTA	Ethylenediaminetetraacetic Acid
ESI	Electrospray Ionization
FRET	Förster Resonance Energy Transfer
GROMACS	GROningen MAchine for Chemical Simulations
HRMS	High-Resolution Mass Spectrometry
LC-MS	Liquid Chromatography–Mass Spectrometry
LINCS	Linear Constraint Solver
MD	Molecular Dynamics
MM/PBSA	Molecular Mechanics/Poisson–Boltzmann Surface Area
NMR	Nuclear Magnetic Resonance
NPT	Constant Number of Particles, Pressure, and Temperature Ensemble
NVT	Constant Number of Particles, Volume, and Temperature Ensemble
PDB	Protein Data Bank
PME	Particle Mesh Ewald
SARS-CoV-2	Severe Acute Respiratory Syndrome Coronavirus 2
SASA	Solvent Accessible Surface Area
THF	Tetrahydrofuran
VdW	Van der Waals