Garrett M. Morris

Garrett M. Morris

University of Oxford

H-index: 44

Europe-United Kingdom

About Garrett M. Morris

Garrett M. Morris, With an exceptional h-index of 44 and a recent h-index of 28 (since 2020), a distinguished researcher at University of Oxford, specializes in the field of Computational Chemistry, Computer-Aided Drug Design, Virtual Screening, Docking, Machine Learning & AI.

His recent articles reflect a diverse array of research interests and contributions to the field:

It is theoretically possible to avoid misfolding into non-covalent lasso entanglements using small molecule drugs

Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints

PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

Discovery and pharmacophoric characterization of chemokine network inhibitors using phage-display, saturation mutagenesis and computational modelling

Drug discovery under covariate shift with domain-informed prior distributions over functions

Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches

Exploring QSAR models for activity-cliff prediction

Garrett M. Morris Information

University

Position

___

Citations(all)

46025

Citations(since 2020)

21118

Cited By

32571

hIndex(all)

44

hIndex(since 2020)

28

i10Index(all)

84

i10Index(since 2020)

51

Email

University Profile Page

Google Scholar

Garrett M. Morris Skills & Research Interests

Computational Chemistry

Computer-Aided Drug Design

Virtual Screening

Docking

Machine Learning & AI

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

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

See List of Professors in Garrett M. Morris University(University of Oxford)

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