Table 2. Binding energy values (Kcal mol⁻¹), obtained by docking simulations, between putative plant OBPs and isoprenoid VOCs.

OBPs	α-Pinene	Limonene	β-Myrcene	β-Caryophyllene	Isoprene	Linalool
TPL-like	−5.06	−4.76	−3.95	−6.16	−3.39	−3.94
ABA receptor	−4.69	−4.73	−3.84	−6.32	−3.35	−4.12
GA receptor	−5.50	−5.44	−4.92	−6.94	−3.78	−4.69
Heading Date 3A	−5.46	−4.99	−4.29	−6.83	−3.44	−4.79
FT	−5.23	−5.07	−4.26	−6.65	−3.15	−4.98
TFL1	−5.30	−5.53	−4.38	−7.15	−3.70	−4.98
Partial JA receptor	−5.23	−4.79	−4.16	−6.05	−2.78	−4.21
Complete JA receptor	−5.92	−5.11	−4.41	−6.61	−2.82	−4.49
SABP2	−6.03	−6.12	−5.14	−6.73	−3.25	−4.70
Reference protein*	−5.42	−6.29	−4.15	Not available	Not available	Not available

*Reference protein is the protein for which it has been found an experimental complex with the ligand. For α-pinene, limonene, and β-myrcene, the reference proteins are cytochrome P450 2B6 complexed with α-pinene (PDB code: 4I91), lipid binding protein complexed with limonene 1,2 epoxide (PDB code: 2A2G, and linalool dehydratase/isomerase complexed with β-myrcene [PDB code: 5HSS]), respectively.