ADMET	absorption: distribution, metabolism, excretion, toxicity
AKT	protein kinase B
ALK	anaplastic lymphoma kinase
BFE	binding free energy
DFG	Asp-Phe-Gly
EGF	epidermal growth factor
FDA	food and drug administration
GF	goodness of fit
GFA	genetic function approximation
GH	Güner-Henry
GOLD	genetic optimization for ligand docking
GROMACS	GROningen MAchine for Chemical Simulations
HBD	hydrogen bond donor
HBA	hydrogen bond acceptor
Hy	hydrophobic
IC50	half maximal inhibitory concentration
LINCS	LINear Constraint Solver
LUAD	lung adenocarcinoma
LUSC	lung squamous cell carcinoma
MD	molecular dynamics
MT	mutant
mTOR	mammalian target of rapamycin
MM/PBSA	molecular mechanics/poisson-boltzmann surface area
NI	negative ionizable
Nrf2	nuclear factor erythroid 2-related factor 2
NVT	constant number of particles, volume and temperature
NPT	constant number of particles, pressure and temperature
NSCLC	non-small cell lung cancer
PDB	protein data bank
PI	positive ionizable
PI3K	phosphoinositide 3-kinase
P-loop	phosphate binding loop
PME	Particle mesh Ewald
RA	ring aromatic
RTK	receptor tyrosine kinase
ROS-1	c-ros oncogene 1
Ro5	rule of five
RMSD	root mean square deviation
VMD	visual molecular dynamics
WT	wild-type