| XP DOCKING | SP DOCKING | HTVS DOCKING | ||||||
Code of the selected molecules | GLIDE ENERGY | GLIDE EMODEL | DOCKING SCORE | GLIDE ENERGY | GLIDE EMODEL | DOCKING SCORE | GLIDE ENERGY | GLIDE EMODEL | DOCKING SCORE |
Z1890693512 | −53.121 | −79.763 | −12.861 | −53.366 | −83.231 | −10.616 | −39.288 | −49.569 | −7.941 |
Z2121011596 | −58.151 | −86.538 | −12.840 | −52.043 | −81.762 | −6.906 | −51.617 | −77.168 | −8.035 |
Z1683225090 | −64.298 | −103.137 | −12.433 | −64.844 | −110.359 | −12.115 | 67.242 | −111.186 | −11.339 |
PV-000185178177 | −57.644 | −69.817 | −12.371 | −57.705 | −89.764 | −10.861 | −51.375 | −79.966 | −8.592 |
PV-002342843731 | −63.185 | −83.969 | −12.329 | −59.201 | −99.536 | −10.225 | −33.959 | 43.623 | −8.925 |
PV-000250468827 | −54.193 | −71.666 | −12.107 | −50.948 | −75.131 | −10.153 | −37.792 | −43.805 | −8.734 |
Z1684534882 | −63.578 | −99.410 | −11.819 | −61.623 | −99.217 | −11.478 | −36.743 | −44.636 | −8.603 |
PV-002558797812 | −60.576 | −86.861 | −11.751 | −56.230 | −82.206 | −8.574 | −43.561 | −59.921 | −8.688 |
PV-001434258746 | −61.101 | −90.189 | −11.658 | −59.853 | −92.134 | −10.332 | −53.774 | −79.920 | −9.848 |
PV-002089512142 | −62.392 | −93.748 | −11.583 | −51.203 | −72.937 | −8.309 | −51.155 | −75.676 | −9.663 |
PV-002569833477 | −72.930 | −118.200 | −13.244 | −71.405 | −127.462 | −12.340 | −53.947 | 79.698 | −9.003 |
PV-002215946839 | −65.001 | −100.234 | −13.146 | −66.509 | −110.293 | −11.323 | −61.093 | −99.204 | −11.020 |
PV-002201035475 | −62.517 | −101.253 | −12.608 | −60.098 | −96.858 | −10.112 | −60.830 | −95.374 | −9.365 |
PV-002109864487 | −59.216 | −85.612 | −12.563 | −58.314 | −91.135 | −11.565 | −54.752 | −82.895 | −9.318 |
PV-002273233325 | −65.498 | −102.751 | −12.552 | −65.641 | −99.792 | −11.689 | −51.223 | −75.193 | −8.708 |
PV-002427431755 | −63.541 | −100.593 | −12.477 | −59.908 | −96.100 | −10.085 | −61.221 | −98.663 | −10.616 |
Z1694049401 | −55.968 | −96.550 | −12.402 | −61.514 | −95.298 | −10.186 | −56.911 | −84.543 | −9.115 |
PV-001946374534 | −66.301 | −100.558 | −12.299 | −61.426 | −88.396 | −10.764 | −53.904 | −79.556 | −10.549 |
Z1683053210 | −55.537 | −85.113 | −12.096 | −57.437 | −85.511 | −11.977 | −44.470 | −63.286 | −10.419 |
Z2150792351 | −67.718 | −97.576 | −11.969 | −64.079 | −100.724 | −10.809 | −56.062 | −86.036 | −10.231 |
Reference molecule | −74.301 | −135.427 | −14.359 | −74.179 | −136.033 | −14.053 | −70.627 | −129.068 | −13.542 |