Garrett M. Morris

Oxford Research Group — United Kingdom

Computer Science · Physical Sciences

43h-index48.3kcitations197works4.42yr avg
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Research Topics

Computational Drug Discovery Methods(79), Protein Structure and Dynamics(50), Machine Learning in Materials Science(32), HIV Research and Treatment(24), Boron Compounds in Chemistry(24)

Publications194 total

Decode-gLM: Tools to Interpret, Audit, and Steer Genomic Language Models
2025Open Access
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data
Communications Chemistry·2025· 19 citedOpen Access
Sort & Slice: a simple and superior alternative to hash-based folding for extended-connectivity fingerprints
Journal of Cheminformatics·2024· 7 citedOpen Access
Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
arXiv (Cornell University)·2024· 1 citedOpen Access
Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches
2024· 1 citedOpen Access
How to make machine learning scoring functions competitive with FEP
2024· 4 citedOpen Access
It is theoretically possible to avoid misfolding into non-covalent lasso entanglements using small molecule drugs
PLoS Computational Biology·2024· 3 citedOpen Access
Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints
arXiv (Cornell University)·2024Open Access
PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
Chemical Science·2023· 248 citedOpen Access
Author response for "PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences"
2023· 10 cited
Discovery and pharmacophoric characterization of chemokine network inhibitors using phage-display, saturation mutagenesis and computational modelling
Nature Communications·2023· 20 citedOpen Access
PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
arXiv (Cornell University)·2023· 17 citedOpen Access
Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
arXiv (Cornell University)·2023· 3 citedOpen Access
Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches
2023· 1 citedOpen Access
Exploring QSAR models for activity-cliff prediction
Journal of Cheminformatics·2023· 51 citedOpen Access
Exploring QSAR Models for Activity-Cliff Prediction
arXiv (Cornell University)·2023Open Access
Identification of Histone Peptide Binding Specificity and Small-Molecule Ligands for the TRIM33α and TRIM33β Bromodomains
ACS Chemical Biology·2022· 20 citedOpen Access
Understanding the genetics of viral drug resistance by integrating clinical data and mining of the scientific literature
Scientific Reports·2022· 6 citedOpen Access
Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review
Frontiers in Bioinformatics·2022· 142 citedOpen Access
Identification of histone peptide binding specificity and small molecule ligands for the bromodomains of TRIM33α and TRIM33β
2022Open Access
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Frequent Co-authors

Arthur J. Olson(19), David S. Goodsell(9), Ruth Huey(8), Charlotte M. Deane(4), Philip C. Biggin(4), John H. Elder(4), Paul W. Finn(3), Lucian Chan(3), Geoffrey Hutchison(3), Michel F. Sanner(2), Richard K. Belew(2), Erica Ollmann Saphire(2), Paul W.H.I. Parren(2), Ralph Pantophlet(2), Michael B. Zwick(2), Pauline M. Rudd(2), Raymond A. Dwek(2), Robyn L. Stanfield(2), Dennis R. Burton(2), Ian A. Wilson(2)