Table 2 XP&MM-GBSA analysis of HL-TRP and repellent
From: HL-TRP channel is required for various repellents for the parthenogenetic Haemaphysalis longicornis
Compound | XP Gscore | MM-GBSA dG Bind(kcal/mol) | Binding interaction |
|---|---|---|---|
Icaridin | −5.361 | −29.90 | Stable |
DEET | −4.882 | −36.87 | More stable |
Cinnamaldehyde | −3.994 | −32.30 | More stable |
IR3535 | −2.151 | −26.98 | Unstable |