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1 Ergebnisse
1
Active Site Sequence Representations of Human Kinases Outpe..:
Jannis Born (4057165)
;
Tien Huynh (277620)
;
Astrid Stroobants (11836223)
..
https://figshare.com/articles/journal_contribution/Active_Site_Sequence_Representations_of_Human_Kinases_Outperform_Full_Sequence_Representations_for_Affinity_Prediction_and_Inhibitor_Generation_3D_Effects_in_a_1D_Model/17198972. , 2021
Link:
https://doi.org/10.1021/acs.jcim.1c00889.s001
RT Journal T1
Active Site Sequence Representations of Human Kinases Outperform Full Sequence Representations for Affinity Prediction and Inhibitor Generation: 3D Effects in a 1D Model
UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_17198972&Exemplar=1&LAN=DE A1 Jannis Born (4057165) A1 Tien Huynh (277620) A1 Astrid Stroobants (11836223) A1 Wendy D. Cornell (2249749) A1 Matteo Manica (7608698) YR 2021 K1 Biophysics K1 Biochemistry K1 Genetics K1 Molecular Biology K1 Pharmacology K1 Ecology K1 Environmental Sciences not elsewhere classified K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 strong inductive bias K1 scale multimodal models K1 models perform similarly K1 interpretability analysis reveals K1 full primary structure K1 develop proteochemometric models K1 atp binding site K1 mild statistical effects K1 active site models K1 inhibitor data presents K1 full sequence models K1 50 </ sub K1 3d structure stemming K1 modeling human kinases K1 inhibitor generation K1 human kinome K1 data sets K1 active sites K1 3d effects K1 work challenges K1 virtual screening K1 unseen ligands K1 standard practice K1 results show K1 previous state K1 predicting pic K1 potential explanation K1 performance metrics K1 internal diversity K1 holds true K1 direct comparisons K1 deep learning K1 computational efficiency K1 attractive opportunity K1 art approaches K1 affinity prediction K1 abundant sequence JF https://figshare.com/articles/journal_contribution/Active_Site_Sequence_Representations_of_Human_Kinases_Outperform_Full_Sequence_Representations_for_Affinity_Prediction_and_Inhibitor_Generation_3D_Effects_in_a_1D_Model/17198972 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.1c00889.s001 DO https://doi.org/10.1021/acs.jcim.1c00889.s001 SF ELIB - SuUB Bremen
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