Mdeepred: Novel Multi-Channel Protein Featurization For Deep Learning-Based Binding Affinity Prediction In Drug Discovery

Autor: R Cetin Atalay, Maria Jesus Martin, Ahmet Sureyya Rifaioglu, D Cansen Kahraman, Volkan Atalay, Tunca Doğan

Motivation Identification of interactions between bioactive small molecules and target proteins is crucial for novel drug discovery, drug repurposing and uncovering off-target effects. Due to the tremendous size of the chemical space, experimental bi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c8b41aef77bca1195a8fb943a1511d6
https://aperta.ulakbim.gov.tr/record/237606

MDeePred: novel multi-channel protein featurization for deep learning-based binding affinity prediction in drug discovery.

Autor: Rifaioglu AS; Department of Computer Engineering, Middle East Technical University, Ankara, Turkey.; Department of Computer Engineering, İskenderun Technical University, Hatay, Turkey., Cetin Atalay R; Graduate School of Informatics, Middle East Technical University, Ankara, Turkey.; Section of Pulmonary and Critical Care Medicine, The University of Chicago, Chicago, IL, USA., Cansen Kahraman D; Graduate School of Informatics, Middle East Technical University, Ankara, Turkey., Doğan T; Department of Computer Engineering, Hacettepe University, Ankara, Turkey.; Institute of Informatics, Hacettepe University, Ankara, Turkey., Martin M; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Cambridge, Hinxton, UK., Atalay V; Department of Computer Engineering, Middle East Technical University, Ankara, Turkey.

Publikováno v: Bioinformatics (Oxford, England) [Bioinformatics] 2021 May 05; Vol. 37 (5), pp. 693-704.