Research graph
References from Prediction of protein-ligand binding affinity with deep learning. Local targets link to admitted publications; unresolved targets remain external evidence.
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10.1002/bies.201300066 · External reference
Optimization of BRET saturation assays for robust and sensitive cytosolic protein–protein interaction studies
10.1038/s41598-022-12851-9 · 2022 · External reference
Rapid cloning of antigen-specific T-cell receptors by leveraging the cis activation of T cells
2022 · External reference
Ligand-induced activation and g protein coupling of prostaglandin f2α receptor
2023 · External reference
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10.1038/s41576-020-00292-x · External reference
10.1038/s41467-023-35844-2
10.1038/s41467-023-35844-2 · External reference
Protein–ligand binding with the coarse-grained Martini model
2020 · External reference
10.1126/sciadv.abd0480
10.1126/sciadv.abd0480 · External reference
Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees
10.1038/s41598-019-43125-6 · 2019 · External reference
Protein-ligand binding with the coarse-grained Martini model
10.1038/s41467-020-17437-5 · 2020 · External reference
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10.1038/s41573-021-00240-2 · External reference
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Automated docking of substrates to proteins by simulated annealing
10.1002/prot.340080302 · 1990 · External reference
10.1023/a:1016357811882
10.1023/a:1016357811882 · External reference
Low-quality structural and interaction data improves binding affinity prediction via random forest
10.3390/molecules200610947 · 2015 · External reference
A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking
10.1093/bioinformatics/btq112 · 2010 · External reference
AGL-Score: algebraic graph learning score for protein–ligand binding scoring, ranking, docking, and screening
10.1021/acs.jcim.9b00334 · 2019 · External reference
DeepSite: protein-binding site predictor using 3D-convolutional neural networks
10.1093/bioinformatics/btx350 · 2017 · External reference
10.1021/acs.jcim.7b00650
10.1021/acs.jcim.7b00650 · External reference
Unresolved reference
2019 · External reference
10.1109/bibm52615.2021.9669781
10.1109/bibm52615.2021.9669781 · 2021 · External reference
10.1109/5.726791
10.1109/5.726791 · External reference
10.1093/bioinformatics/btaa921
10.1093/bioinformatics/btaa921 · External reference
Improved protein–ligand binding affinity prediction with structure-based deep fusion inference
10.1021/acs.jcim.0c01306 · 2021 · External reference
10.1109/bibm52615.2021.9669846
10.1109/bibm52615.2021.9669846 · 2021 · External reference
The graph neural network model
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2020 · External reference
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2018 · External reference
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2017 · External reference
TopologyNet: topology based deep convolutional and multi-task neural networks for biomolecular property predictions
2017 · External reference
10.1093/bioinformatics/bty374
10.1093/bioinformatics/bty374 · External reference
Software news and updates AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility
10.1002/jcc.21256 · 2009 · External reference
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2016 · External reference
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2018 · External reference
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2018 · External reference
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2018 · External reference
10.1021/acs.jctc.6b00049
10.1021/acs.jctc.6b00049 · External reference
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2018 · External reference
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Graph convolutional neural networks for predicting drug-target interactions
10.1021/acs.jcim.9b00628 · 2019 · External reference
Analysis of amino acid indices and mutation matrices for sequence comparison and structure prediction of proteins
10.1093/protein/9.1.27 · 1996 · External reference
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10.1093/nar/27.1.368 · 1999 · External reference
10.1093/nar/28.1.374
10.1093/nar/28.1.374 · External reference
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10.1093/nar/gkh131 · External reference
10.1038/s41586-021-03819-2
10.1038/s41586-021-03819-2 · External reference
10.1101/2021.10.04.463034
10.1101/2021.10.04.463034 · External reference
10.1093/nar/28.1.235
10.1093/nar/28.1.235 · External reference
The PDBbind database: collection of binding affinities for protein - ligand complexes with known three-dimensional structures
10.1021/jm030580l · 2004 · External reference
10.1109/cvpr.2019.00020
10.1109/cvpr.2019.00020 · External reference
Fast autoaugment
2019 · External reference
Unresolved reference
2019 · External reference
