Calculation of Protein-ligand interaction energies (Back)

Figures

CVD-0007756 (No ligand)	C145G (No ligand)	C165G (No ligand)	D187G (No ligand)	E166G (No ligand)
F140G (No ligand)	F140G (No ligand)	H163G (No ligand)	L141G (No ligand)	N142G (No ligand)
Q189G (No ligand)	R188G (No ligand)	S1G (No ligand)	S144G (No ligand)	T25G (No ligand)
CVD-0007756	C145G	C165G	D187G	E166G
F140G	F140G	H163G	L141G	N142G
Q189G	R188G	S1G	S144G	T25G

MOPAC ARC files

CVD-0007756 (No ligand)	C145G (No ligand)	C165G (No ligand)	D187G (No ligand)	E166G (No ligand)
F140G (No ligand)	F140G (No ligand)	H163G (No ligand)	L141G (No ligand)	N142G (No ligand)
Q189G (No ligand)	R188G (No ligand)	S1G (No ligand)	S144G (No ligand)	T25G (No ligand)
CVD-0007756	C145G	C165G	D187G	E166G
F140G	F140G	H163G	L141G	N142G
Q189G	R188G	S1G	S144G	T25G

PDB files

CVD-0007756 (No ligand)	C145G (No ligand)	C165G (No ligand)	D187G (No ligand)	E166G (No ligand)
F140G (No ligand)	F140G (No ligand)	H163G (No ligand)	L141G (No ligand)	N142G (No ligand)
Q189G (No ligand)	R188G (No ligand)	S1G (No ligand)	S144G (No ligand)	T25G (No ligand)
CVD-0007756	C145G	C165G	D187G	E166G
F140G	F140G	H163G	L141G	N142G
Q189G	R188G	S1G	S144G	T25G