Garrett M. Morris

Orcid: 0000-0003-1731-8405

Affiliations:
  • University of Oxford, UK


According to our database1, Garrett M. Morris authored at least 24 papers between 1996 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

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Online presence:

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Bibliography

2024
Sort & Slice: a simple and superior alternative to hash-based folding for extended-connectivity fingerprints.
J. Cheminformatics, December, 2024

It is theoretically possible to avoid misfolding into non-covalent lasso entanglements using small molecule drugs.
PLoS Comput. Biol., 2024

Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design.
Proceedings of the Forty-first International Conference on Machine Learning, 2024

2023
Exploring QSAR models for activity-cliff prediction.
J. Cheminformatics, December, 2023

Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions.
Proceedings of the International Conference on Machine Learning, 2023

2022
Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses.
J. Chem. Inf. Model., 2022

Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review.
Frontiers Bioinform., 2022

2021
Understanding Ring Puckering in Small Molecules and Cyclic Peptides.
J. Chem. Inf. Model., 2021

Learning protein-ligand binding affinity with atomic environment vectors.
J. Cheminformatics, 2021

2020
Learning from the ligand: using ligand-based features to improve binding affinity prediction.
Bioinform., 2020

2019
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
J. Chem. Inf. Model., 2019

Bayesian optimization for conformer generation.
J. Cheminformatics, 2019

2013
Automated Docking with Protein Flexibility in the Design of Femtomolar "Click Chemistry" Inhibitors of Acetylcholinesterase.
J. Chem. Inf. Model., 2013

Molecular Determinants of Binding to the <i>Plasmodium</i> Subtilisin-like Protease 1.
J. Chem. Inf. Model., 2013

2012
Freely Available Conformer Generation Methods: How Good Are They?
J. Chem. Inf. Model., 2012

Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening.
J. Cheminformatics, 2012

2011
Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension.
J. Comput. Aided Mol. Des., 2011

2010
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics.
J. Comput. Aided Mol. Des., 2010

2009
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility.
J. Comput. Chem., 2009

2007
A semiempirical free energy force field with charge-based desolvation.
J. Comput. Chem., 2007

2003
Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling.
J. Comput. Aided Mol. Des., 2003

1998
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function.
J. Comput. Chem., 1998

Computational Coevolution of Antiviral Drug Resistance.
Artif. Life, 1998

1996
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4.
J. Comput. Aided Mol. Des., 1996


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