AA	amino acid
ADT	AutoDocktools v1.5.6
DOPE	Discrete Optimized Protein Energy
DS	Discovery Studio v2.5
IaAS1	amyrin synthase 1 of Ilex asprella
IaAS1_alpha	complex of α-amyrin and IaAS1
IaAS1_beta	complex of β-amyrin and IaAS1
IaAS2	amyrin synthase 2 of Ilex asprella
IaAS2_alpha	complex of α-amyrin and IaAS2
IaAS2_beta	complex of β-amyrin and IaAS2
iPCR	inverse PCR
LGA	Lamarck’s genetic algorithm
MD	molecular dynamics
MM/GBSA	Mechanics/Generalized Born Surface Area
MM/PBSA	Molecular Mechanics/Poisson Boltzmann Surface Area
OSC	Oxidosqualene cyclase
OS	2,3-oxidosqualene
PDF	Probability density function
SC-U	synthetic complete medium without uracil
RMSD	root mean square deviation
SHC	squalene-hopene cyclase