Abbreviation	Definition
APE1	Apurinic/apyrimidinic endonuclease 1
AR	Androgen receptor
ARE	Androgen-responsive element
BER	Base excision repair
CRPC	Castration-resistant prostate cancer
DBD	DNA-binding domain
DFT	Density functional theory
HOMO	Highest-occupied molecular orbital
LBD	Ligand-binding domain
LUMO	Lowest-unoccupied molecular orbital
MD	Molecular dynamics
NTD	N-terminal domain
PBC	Periodic boundary conditions
PME	Particle Mesh-Ewald
PPI	Protein-protein interaction
QM	Quantum mechanical
RMSD	Root mean-squared deviation
RMSF	Root-mean-square fluctuation
WT	Wild-type