Your PRODIGY-LIGAND prediction has finished successfully.
Please note that the results will be deleted after two weeks.
To cite PRODIGY-LIGAND, please refer to:
- Vangone A., Schaarschmidt J., Koukos P., Geng C., Citro N., Trellet M.E., Xue L., Bonvin A.M.J.J. “Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server”, Bioinformatics, bty816, https://doi.org/10.1093/bioinformatics/bty816
- Kurkcuoglu Z., Koukos P.I., Citro N., Trellet M.E., Rodrigues J.P.G.L.M., Moreira I.S., Roel-Touris J., Melquiond A.S.J., Geng C., Schaarschmidt J., Xue L.C., Vangone A. and Bonvin A.M.J.J. "Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2". J. Comp. Aid. Mol. Des.32, 175-185 (2018).
For more information about the predictive model please check the PRODIGY-LIGAND prediction method page.
Further information can be found in the PRODIGY-LIGAND Manual and an example of the PRODIGY-LIGAND output can be found here.
Back to PRODIGY-LIGAND home page
Binding affinity
Complex |
ΔGprediction
(Kcal/mol) |
ΔGnoelec
(Kcal/mol) |
ΔGscore | CC | CO | CN | CX | OO | OX | NO | NN | NX | XX |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4JRG | - | -9.62 | - | 2415 | 591 | 795 | 288 | 20 | 51 | 75 | 55 | 61 | 5 |
Download outputs
Archive file of all the outputs (.zip)
- 4JRG
- - Residue-residue pairs (.ic)