resumo
- The following are available online at https://www.mdpi.com/2218-273X/11/2/145/s1. Odorant molecules CAS identification are listed in Table S1. Statistical analysis on the comparison of odorant properties (described in Table 1 and Table 2) in Table S2. The Vina grid box in Figure S1, the X-ray and Uniprot hOBP sequences alignment are presented in Figure S2 and the RMSD and cartoon structural superposition in Figures S3 and S4, respectively. Standard scatter plots/linear correlation regression are presented as SM, in Figures S5–S9, evaluating the relation of ΔGbinding to the other properties separately. The docking binding energies against the 4RUN X-ray structure are shown in Table S3.