Garrett M. Morris

30 papers A* 2Journal 28

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Learning Inter-Atomic Potentials without Explicit Equivariance. CoRR Ahmed A. A. Elhag, Arun Raja, Alex Morehead, Samuel M. Blau, Garrett M. Morris, Michael M. Bronstein
2025	J	`jnl`	SigmaDock: Untwisting Molecular Docking With Fragment-Based SE(3) Diffusion. CoRR Alvaro Prat, Leo Zhang, Charlotte M. Deane, Yee Whye Teh, Garrett M. Morris
2024	A*	`conf`	Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design. ICML Leo Klarner, Tim G. J. Rudner, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
2024	J	`jnl`	Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design. CoRR Leo Klarner, Tim G. J. Rudner, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
2024	J	`jnl`	It is theoretically possible to avoid misfolding into non-covalent lasso entanglements using small molecule drugs. PLoS Comput. Biol. Yang Jiang, Charlotte M. Deane, Garrett M. Morris, Edward P. O'Brien
2024	J	`jnl`	Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints. CoRR Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
2024	J	`jnl`	Sort & Slice: a simple and superior alternative to hash-based folding for extended-connectivity fingerprints. J. Cheminformatics Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
2023	A*	`conf`	Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions. ICML Leo Klarner, Tim G. J. Rudner, Michael Reutlinger, Torsten Schindler, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
2023	J	`jnl`	Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions. CoRR Leo Klarner, Tim G. J. Rudner, Michael Reutlinger, Torsten Schindler, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
2023	J	`jnl`	Exploring QSAR Models for Activity-Cliff Prediction. CoRR Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
2023	J	`jnl`	Exploring QSAR models for activity-cliff prediction. J. Cheminformatics Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
2022	J	`jnl`	Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses. J. Chem. Inf. Model. Fergus Boyles, Charlotte M. Deane, Garrett M. Morris
2022	J	`jnl`	Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review. Frontiers Bioinform. Rocco Meli, Garrett M. Morris, Philip C. Biggin
2021	J	`jnl`	Learning protein-ligand binding affinity with atomic environment vectors. J. Cheminformatics Rocco Meli, Andrew Anighoro, Michael J. Bodkin, Garrett M. Morris, Philip C. Biggin
2021	J	`jnl`	Understanding Ring Puckering in Small Molecules and Cyclic Peptides. J. Chem. Inf. Model. Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
2020	J	`jnl`	Learning from the ligand: using ligand-based features to improve binding affinity prediction. Bioinform. Fergus Boyles, Charlotte M. Deane, Garrett M. Morris
2019	J	`jnl`	Bayesian optimization for conformer generation. J. Cheminformatics Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
2019	J	`jnl`	Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening. J. Chem. Inf. Model. Jean-Paul Ebejer, Paul W. Finn, Wing Ki Wong, Charlotte M. Deane, Garrett M. Morris
2013	J	`jnl`	Automated Docking with Protein Flexibility in the Design of Femtomolar "Click Chemistry" Inhibitors of Acetylcholinesterase. J. Chem. Inf. Model. Garrett M. Morris, Luke G. Green, Zoran Radic, Palmer Taylor, K. Barry Sharpless, Arthur J. Olson, Flavio Grynszpan
2013	J	`jnl`	Molecular Determinants of Binding to the J. Chem. Inf. Model. Simone Fulle, Chrislaine Withers-Martinez, Michael J. Blackman, Garrett M. Morris, Paul W. Finn
2012	J	`jnl`	Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening. J. Cheminformatics Simone Fulle, M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris
2012	J	`jnl`	Freely Available Conformer Generation Methods: How Good Are They? J. Chem. Inf. Model. Jean-Paul Ebejer, Garrett M. Morris, Charlotte M. Deane
2011	J	`jnl`	Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension. J. Comput. Aided Mol. Des. M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris, W. Graham Richards
2010	J	`jnl`	ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics. J. Comput. Aided Mol. Des. M. Stuart Armstrong, Garrett M. Morris, Paul W. Finn, Raman Sharma, Loris Moretti, Richard I. Cooper, W. Graham Richards
2009	J	`jnl`	AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J. Comput. Chem. Garrett M. Morris, Ruth Huey, William Lindstrom, Michel F. Sanner, Richard K. Belew, David S. Goodsell, Arthur J. Olson
2007	J	`jnl`	A semiempirical free energy force field with charge-based desolvation. J. Comput. Chem. Ruth Huey, Garrett M. Morris, Arthur J. Olson, David S. Goodsell
2003	J	`jnl`	Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling. J. Comput. Aided Mol. Des. Robin J. Rosenfeld, David S. Goodsell, Rabi A. Musah, Garrett M. Morris, David B. Goodin, Arthur J. Olson
1998	J	`jnl`	Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comput. Chem. Garrett M. Morris, David S. Goodsell, Robert S. Halliday, Ruth Huey, William E. Hart, Richard K. Belew, Arthur J. Olson
1998	J	`jnl`	Computational Coevolution of Antiviral Drug Resistance. Artif. Life Christopher D. Rosin, Richard K. Belew, Garrett M. Morris, Arthur J. Olson, David S. Goodsell
1996	J	`jnl`	Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4. J. Comput. Aided Mol. Des. Garrett M. Morris, David S. Goodsell, Ruth Huey, Arthur J. Olson