Author

J. D. Durrant

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Pharmacology & Toxicology· 3

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Research Focus:drug response / drug discovery· 2 Approach:experimental assay· 1 Assay:protein structure· 1 Research Focus:software / tool· 1

Frequent Co-Authors

D. R. Koes· 2 shared E. Hellemann· 1 shared H. Green· 1 shared K. C. Cassidy· 1 shared R. Bhatt· 1 shared Y. Kochnev· 1 shared

Activity by Year

2019-2023 · peak 1/yr

Co-Author Collaboration Network

6 top collaborators · 5 mutual co-author links

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2 shared papersPharmacology & Toxicology

D. R. Koes

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3 papers

Recent·Most cited

CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks

R. Bhatt, D. R. Koes, J. D. Durrant

CENsible predicts small-molecule binding affinities using interpretable context explanation networks, distinguishing active from inactive compounds and providing term-specific contributions to affinity predictions.

bioRxiv · Oct 18, 2023Pharmacology & Toxicology

DeepFrag: A Deep Convolutional Neural Network for Fragment-based Lead Optimization

H. Green, D. R. Koes, J. D. Durrant

DeepFrag predicts chemical fragments to improve ligand binding affinity using a deep convolutional neural network, achieving 58% accuracy in selecting correct fragments from a large set.

Chemical Science · Jan 1, 2021Peer-reviewedPharmacology & Toxicology

Webina: An Open-Source Library and Web App that Runs AutoDock Vina Entirely in the Web Browser

Y. Kochnev, E. Hellemann, K. C. Cassidy, J. D. Durrant

Webina provides a web-based interface for running AutoDock Vina, enabling users to perform molecular docking without installing software or using command-line interfaces.

bioRxiv · Dec 18, 2019Pharmacology & Toxicology