graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2020-03-01
|
| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.9b04162 |
| _version_ | 1818388687953592320 |
|---|---|
| author | Dmitry S. Karlov Sergey Sosnin Maxim V. Fedorov Petr Popov |
| author_facet | Dmitry S. Karlov Sergey Sosnin Maxim V. Fedorov Petr Popov |
| author_sort | Dmitry S. Karlov |
| collection | DOAJ |
| first_indexed | 2024-12-14T04:29:48Z |
| format | Article |
| id | doaj.art-3434350f5f0d438aa1dae4251babb7bc |
| institution | Directory Open Access Journal |
| issn | 2470-1343 |
| language | English |
| last_indexed | 2024-12-14T04:29:48Z |
| publishDate | 2020-03-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj.art-3434350f5f0d438aa1dae4251babb7bc2022-12-21T23:17:06ZengAmerican Chemical SocietyACS Omega2470-13432020-03-015105150515910.1021/acsomega.9b04162graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand ComplexesDmitry S. Karlov0Sergey Sosnin1Maxim V. Fedorov2Petr Popov3Skolkovo Institute of Science and Technology, Moscow, RussiaSkolkovo Institute of Science and Technology, Moscow, RussiaSkolkovo Institute of Science and Technology, Moscow, RussiaSkolkovo Institute of Science and Technology, Moscow, Russiahttps://doi.org/10.1021/acsomega.9b04162 |
| spellingShingle | Dmitry S. Karlov Sergey Sosnin Maxim V. Fedorov Petr Popov graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes ACS Omega |
| title | graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes |
| title_full | graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes |
| title_fullStr | graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes |
| title_full_unstemmed | graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes |
| title_short | graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes |
| title_sort | graphdelta mpnn scoring function for the affinity prediction of protein ligand complexes |
| url | https://doi.org/10.1021/acsomega.9b04162 |
| work_keys_str_mv | AT dmitryskarlov graphdeltampnnscoringfunctionfortheaffinitypredictionofproteinligandcomplexes AT sergeysosnin graphdeltampnnscoringfunctionfortheaffinitypredictionofproteinligandcomplexes AT maximvfedorov graphdeltampnnscoringfunctionfortheaffinitypredictionofproteinligandcomplexes AT petrpopov graphdeltampnnscoringfunctionfortheaffinitypredictionofproteinligandcomplexes |