Table 2.
Compounds | Glide score | Glide energy |
---|---|---|
A2T (crystal ligand) | −10.895 | −93.678 |
N30 | −9.224 | −80.836 |
N32 | −9.051 | −64.257 |
N39 | −8.342 | −45.534 |
12f | −7.889 | −57.929 |
N8 | −7.458 | −56.81 |
N47 | −7.04 | −46.242 |
N1 | −6.159 | −42.097 |
A53 | −6.09 | −33.931 |
N2 | −6.008 | −42.762 |
N31 | −5.732 | −52.009 |
A54 | −5.097 | −28.057 |
N45 | −4.714 | −30.696 |
N3 | −4.432 | −35.244 |
DHA | −4.011 | −30.894 |
Deoxy-Artemisinin | −3.904 | −21.788 |
Artemisinin | −2.795 | −32.612 |
A62 | −2.326 | −5.349 |