Garrett M. Morris
University of Oxford
H-index: 44
Europe-United Kingdom
Top articles of Garrett M. Morris
It is theoretically possible to avoid misfolding into non-covalent lasso entanglements using small molecule drugs
PLoS computational biology
2024/3/12
Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints
arXiv preprint arXiv:2403.17954
2024/3/10
PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
Chemical Science
2024
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
Science
2023/11/10
Matteo Ferla
H-Index: 8
Nir London
H-Index: 23
Frank Von Delft
H-Index: 34
James Bennett
H-Index: 12
Lennart Brewitz
H-Index: 8
Juliane Brun
H-Index: 5
Austin Clyde
H-Index: 3
Alessandro Contini
H-Index: 17
Milan Cvitkovic
H-Index: 6
Oleg Fedorov
H-Index: 45
Lori Ferrins
H-Index: 8
Richard Foster
H-Index: 6
Andre S Godoy
H-Index: 6
Michael Henry
H-Index: 27
Michelle Hill
H-Index: 6
Andrew Jajack
H-Index: 7
Lulu Kang
H-Index: 7
Peter W Kenny
H-Index: 18
Haim Levy
H-Index: 33
David Minh
H-Index: 13
Aaron Morris
H-Index: 9
Glaucius Oliva
H-Index: 22
Jin Pan
H-Index: 3
Discovery and pharmacophoric characterization of chemokine network inhibitors using phage-display, saturation mutagenesis and computational modelling
Nature Communications
2023/9/16
Drug discovery under covariate shift with domain-informed prior distributions over functions
2023/7
Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches
2023/5/8
Exploring QSAR models for activity-cliff prediction
Journal of Cheminformatics
2023/4/17
Understanding the genetics of viral drug resistance by integrating clinical data and mining of the scientific literature
Scientific Reports
2022/8/25
Bias in the Benchmark: Systematic experimental errors in bioactivity databases confound multi-task and meta-learning algorithms
2022/6/15
Characterization of the SARS-CoV-2 ExoN (nsp14ExoN–nsp10) complex: implications for its role in viral genome stability and inhibitor identification
Nucleic acids research
2022/2/22
Protein-ligand interaction graphs: Learning from ligand-shaped 3d interaction graphs to improve binding affinity prediction
bioRxiv
2022
Identification of Histone Peptide Binding Specificity and Small-Molecule Ligands for the TRIM33α and TRIM33β Bromodomains
ACS chemical biology
2022/9/13
Investigating the potential for a limited quantum speedup on protein lattice problems
New Journal of Physics
2021/10/25
Understanding Conformational Entropy in Small Molecules
Journal of Chemical Theory and Computation
2021/3/24
Understanding Ring Puckering in Small Molecules and Cyclic Peptides
Journal of Chemical Information and Modeling
2021/2/5
Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained On Docked Poses
2021/1/27
Discovery of SARS-CoV-2 Mpro Peptide Inhibitors from Modelling Substrate and Ligand Binding (preprint)
2021
Open science discovery of oral non-covalent SARS-CoV-2 main protease inhibitor therapeutics
2020
Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding
Chemical science
2021