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Garrett M. Morris
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AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
GM Morris, R Huey, W Lindstrom, MF Sanner, RK Belew, DS Goodsell, ...
J. Comput. Chem. 30 (16), 2785-2791, 2009
235992009
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
GM Morris, DS Goodsell, RS Halliday, R Huey, WE Hart, RK Belew, ...
J. Comput. Chem. 19, 1639, 1998
133101998
A semiempirical free energy force field with charge‐based desolvation
R Huey, GM Morris, AJ Olson, DS Goodsell
Journal of computational chemistry 28 (6), 1145-1152, 2007
26112007
Automated docking of flexible ligands: applications of AutoDock
DS Goodsell, GM Morris, AJ Olson
Journal of Molecular Recognition 9 (1), 1-5, 1996
20451996
Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4
GM Morris, DS Goodsell, R Huey, AJ Olson
Journal of computer-aided molecular design 10 (4), 293-304, 1996
13681996
Molecular Docking
GM Morris, M Lim-Wilby
Molecular Modeling of Proteins, 365-382, 2008
13042008
Using AutoDock for Ligand‐Receptor Docking
GM Morris, R Huey, AJ Olson
Current Protocols in Bioinformatics, 8.14. 1-8.14. 40, 2008
11982008
Crystal structure of a neutralizing human IGG against HIV-1: a template for vaccine design
EO Saphire, PWHI Parren, R Pantophlet, MB Zwick, GM Morris, PM Rudd, ...
Science 293 (5532), 1155-1159, 2001
11542001
Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock
F Österberg, GM Morris, MF Sanner, AJ Olson, DS Goodsell
Proteins: Structure, Function, and Bioinformatics 46 (1), 34-40, 2002
6492002
Using AutoDock 4 and AutoDock Vina with AutoDockTools: A Tutorial
R Huey, GM Morris, S Forli
The Scripps Research Institute Molecular Graphics Laboratory, 2012
4662012
Target flexibility: an emerging consideration in drug discovery and design
P Cozzini, GE Kellogg, F Spyrakis, DJ Abraham, G Costantino, A Emerson, ...
Journal of medicinal chemistry 51 (20), 6237-6255, 2008
3792008
The prospects of quantum computing in computational molecular biology
C Outeiral, M Strahm, J Shi, GM Morris, SC Benjamin, CM Deane
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (1), e1481, 2021
2562021
Freely Available Conformer Generation Methods: How Good Are They?
JP Ebejer, GM Morris, CM Deane
Journal of chemical information and modeling 52 (5), 1146-1158, 2012
2502012
Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites
GA Ross, GM Morris, PC Biggin
PloS one 7 (3), e32036, 2012
2242012
Active site binding modes of curcumin in HIV-1 protease and integrase
O Vajragupta, P Boonchoong, GM Morris, AJ Olson
Bioorganic & medicinal chemistry letters 15 (14), 3364-3368, 2005
1722005
Using AutoDock with AutoDockTools: A Tutorial
R Huey, GM Morris
La Jolla, CA: The Scripps Research Institute, Molecular Graphics Laboratory, 2008
1692008
PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
M Buttenschoen, GM Morris, CM Deane
Chemical Science 15 (9), 3130-3139, 2024
1632024
Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling
RJ Rosenfeld, DS Goodsell, RA Musah, GM Morris, DB Goodin, AJ Olson
Journal of Computer-Aided Molecular Design 17, 525-536, 2003
1232003
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics
MS Armstrong, GM Morris, PW Finn, R Sharma, L Moretti, RI Cooper, ...
Journal of computer-aided molecular design 24 (9), 789-801, 2010
1202010
Learning from the ligand: using ligand-based features to improve binding affinity prediction
F Boyles, CM Deane, GM Morris
Bioinformatics 36 (3), 758-764, 2020
1042020
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