Expanding Training Data for Structure-Based Receptor–Ligand Binding Affinity Regression through Imputation of Missing Labels

por Francoeur, Paul G., Koes, David R.
Publicado 2023

DeepFrag: a deep convolutional neural network for fragment-based lead optimization

por Green, Harrison, Koes, David R., Durrant, Jacob D.
Publicado 2021

Threonine 89 Is an Important Residue of Profilin-1 That Is Phosphorylatable by Protein Kinase A

por Gau, David, Veon, William, Zeng, Xuemei, Yates, Nathan, Shroff, Sanjeev G., Koes, David R., Roy, Partha
Publicado 2016

Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening

por Chen, Lieyang, Cruz, Anthony, Ramsey, Steven, Dickson, Callum J., Duca, Jose S., Hornak, Viktor, Koes, David R., Kurtzman, Tom
Publicado 2019