Comp. | Docking score | Glide energy (kcal/mol) | Glide emodel |
---|---|---|---|
s1 | − 0.951 | − 68.028 | − 93.889 |
s2 | − 4.195 | − 80.703 | − 107.394 |
s3 | − 2.14 | − 56.46 | − 75.84 |
s4 | − 2.816 | − 71.535 | − 99.49 |
s5 | − 2.316 | − 54.01 | − 72.719 |
s6 | − 1.394 | − 78.785 | − 112.194 |
s7 | − 1.077 | − 76.603 | − 109.074 |
s8 | − 0.80 | − 68.965 | − 95.826 |
s9 | − 2.407 | − 61.924 | − 89.332 |
s10 | − 2.451 | − 53.384 | − 68.563 |
s11 | − 2.613 | − 65.022 | − 97.947 |
s12 | − 0.587 | − 72.015 | − 107.685 |
s13 | − 3.313 | − 74.499 | − 93.797 |
s14 | − 1.603 | − 66.638 | − 92.211 |
s15 | − 2.159 | − 57.488 | − 88.326 |
s16 | − 1.748 | − 69.836 | − 93.661 |
GTP | − 10.434 | − 80.151 | − 126.517 |