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ORCIDGarrett M. Morris
Person information
- affiliation: University of Oxford, UK
Other persons with a similar name
- J. Garrett Morris
![[0000-0002-3992-1080]](https://dblp.dagstuhl.de/img/orcid-mark.12x12.png "0000-0002-3992-1080")
— University of Iowa, Iowa City, IA, USA (and 3 more)
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2020 – today
- 2024
[j22]Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris:
Sort & Slice: a simple and superior alternative to hash-based folding for extended-connectivity fingerprints. J. Cheminformatics 16(1): 135 (2024)- [j21]Yang Jiang, Charlotte M. Deane, Garrett M. Morris, Edward P. O'Brien:
It is theoretically possible to avoid misfolding into non-covalent lasso entanglements using small molecule drugs. PLoS Comput. Biol. 20(3): 1011901 (2024) - [c2]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. ICML 2024 - [i4]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 abs/2403.17954 (2024) - [i3]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 abs/2407.11942 (2024) - 2023
- [j20]Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris:
Exploring QSAR models for activity-cliff prediction. J. Cheminformatics 15(1): 47 (2023) - [c1]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: 17176-17197 - [i2]Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris:
Exploring QSAR Models for Activity-Cliff Prediction. CoRR abs/2301.13644 (2023) - [i1]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 abs/2307.15073 (2023) - 2022
- [j19]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) - [j18]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): 5329-5341 (2022) - 2021
- [j17]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): 59 (2021) - [j16]Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris:
Understanding Ring Puckering in Small Molecules and Cyclic Peptides. J. Chem. Inf. Model. 61(2): 743-755 (2021) - 2020
- [j15]Fergus Boyles, Charlotte M. Deane, Garrett M. Morris:
Learning from the ligand: using ligand-based features to improve binding affinity prediction. Bioinform. 36(3): 758-764 (2020)
2010 – 2019
- 2019
- [j14]Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris:
Bayesian optimization for conformer generation. J. Cheminformatics 11(1): 32:1-32:11 (2019) - [j13]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): 2600-2616 (2019) - 2013
- [j12]Simone Fulle, Chrislaine Withers-Martinez, Michael J. Blackman, Garrett M. Morris, Paul W. Finn:
Molecular Determinants of Binding to the Plasmodium Subtilisin-like Protease 1. J. Chem. Inf. Model. 53(3): 573-583 (2013) - [j11]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): 898-906 (2013) - 2012
- [j10]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): 7 (2012) - [j9]Jean-Paul Ebejer, Garrett M. Morris, Charlotte M. Deane:
Freely Available Conformer Generation Methods: How Good Are They? J. Chem. Inf. Model. 52(5): 1146-1158 (2012) - 2011
- [j8]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): 785-790 (2011) - 2010
- [j7]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): 789-801 (2010)
2000 – 2009
- 2009
- [j6]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): 2785-2791 (2009) - 2007
- [j5]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): 1145-1152 (2007) - 2003
- [j4]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): 525-536 (2003)
1990 – 1999
- 1998
- [j3]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): 41-59 (1998) - [j2]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): 1639-1662 (1998) - 1996
- [j1]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): 293-304 (1996)
Coauthor Index
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