Garrett M. Morris

Publication Activity (10 Years)

Years Active: 1996-2024
Publications (10 Years): 13

Top Topics

Covariate Shift

Data Mining Tools

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Leo Klarner, Tim G. J. Rudner, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design. CoRR (2024)
Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints. CoRR (2024)
Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
Exploring QSAR models for activity-cliff prediction. J. Cheminformatics 15 (1) (2023)
Leo Klarner, Tim G. J. Rudner, Michael Reutlinger, Torsten Schindler, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions. ICML (2023)
Leo Klarner, Tim G. J. Rudner, Michael Reutlinger, Torsten Schindler, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions. CoRR (2023)
Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
Exploring QSAR Models for Activity-Cliff Prediction. CoRR (2023)
Fergus Boyles, Charlotte M. Deane, Garrett M. Morris
Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses. J. Chem. Inf. Model. 62 (22) (2022)
Rocco Meli, Garrett M. Morris, Philip C. Biggin
Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review. Frontiers Bioinform. 2 (2022)
Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
Understanding Ring Puckering in Small Molecules and Cyclic Peptides. J. Chem. Inf. Model. 61 (2) (2021)
Rocco Meli, Andrew Anighoro, Michael J. Bodkin, Garrett M. Morris, Philip C. Biggin
Learning protein-ligand binding affinity with atomic environment vectors. J. Cheminformatics 13 (1) (2021)
Fergus Boyles, Charlotte M. Deane, Garrett M. Morris
Learning from the ligand: using ligand-based features to improve binding affinity prediction. Bioinform. 36 (3) (2020)
Jean-Paul Ebejer, Paul W. Finn, Wing Ki Wong, Charlotte M. Deane, Garrett M. Morris
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening. J. Chem. Inf. Model. 59 (6) (2019)
Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
Bayesian optimization for conformer generation. J. Cheminformatics 11 (1) (2019)
Simone Fulle, Chrislaine Withers-Martinez, Michael J. Blackman, Garrett M. Morris, Paul W. Finn
Subtilisin-like Protease 1. J. Chem. Inf. Model. 53 (3) (2013)
Garrett M. Morris, Luke G. Green, Zoran Radic, Palmer Taylor, K. Barry Sharpless, Arthur J. Olson, Flavio Grynszpan
Automated Docking with Protein Flexibility in the Design of Femtomolar "Click Chemistry" Inhibitors of Acetylcholinesterase. J. Chem. Inf. Model. 53 (4) (2013)
Simone Fulle, M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris
Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening. J. Cheminformatics 4 (S-1) (2012)
Jean-Paul Ebejer, Garrett M. Morris, Charlotte M. Deane
Freely Available Conformer Generation Methods: How Good Are They? J. Chem. Inf. Model. 52 (5) (2012)
M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris, W. Graham Richards
Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension. J. Comput. Aided Mol. Des. 25 (8) (2011)
M. Stuart Armstrong, Garrett M. Morris, Paul W. Finn, Raman Sharma, Loris Moretti, Richard I. Cooper, W. Graham Richards
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics. J. Comput. Aided Mol. Des. 24 (9) (2010)
Garrett M. Morris, Ruth Huey, William Lindstrom, Michel F. Sanner, Richard K. Belew, David S. Goodsell, Arthur J. Olson
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J. Comput. Chem. 30 (16) (2009)
Ruth Huey, Garrett M. Morris, Arthur J. Olson, David S. Goodsell
A semiempirical free energy force field with charge-based desolvation. J. Comput. Chem. 28 (6) (2007)
Robin J. Rosenfeld, David S. Goodsell, Rabi A. Musah, Garrett M. Morris, David B. Goodin, Arthur J. Olson
Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling. J. Comput. Aided Mol. Des. 17 (8) (2003)
Garrett M. Morris, David S. Goodsell, Robert S. Halliday, Ruth Huey, William E. Hart, Richard K. Belew, Arthur J. Olson
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comput. Chem. 19 (14) (1998)
Christopher D. Rosin, Richard K. Belew, Garrett M. Morris, Arthur J. Olson, David S. Goodsell
Computational Coevolution of Antiviral Drug Resistance. Artif. Life 4 (1) (1998)
Garrett M. Morris, David S. Goodsell, Ruth Huey, Arthur J. Olson
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4. J. Comput. Aided Mol. Des. 10 (4) (1996)