Garrett M. Morris

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Arthur OlsonProfesssor The Scripps Research InstituteVerified email at scripps.edu
David S. GoodsellThe Scripps Research InstituteVerified email at scripps.edu
Richard K. BelewEmeritus professor, UCSDVerified email at ucsd.edu
Michel SannerProfessor of Computational Biology at Scripps Research La Jolla CAVerified email at scripps.edu
William E HartSandia National LaboratoriesVerified email at sandia.gov
Charlotte DeaneProfessor of Structural Bioinformatics, Oxford UniversityVerified email at stats.ox.ac.uk
Paul William FinnOxford Drug Design Limited, University of Buckingham, Affinity Drug DesignVerified email at oxforddrugdesign.com
Philip C. BigginProfessor of Computational Biochemistry, University of OxfordVerified email at bioch.ox.ac.uk
Michael B. ZwickDepartment of Immunology and Microbiology, The Scripps Research InstituteVerified email at scripps.edu
ParrenLeiden University Medical CenterVerified email at lumc.nl
raymond dwekoxford glycobiology instituteVerified email at exeter.ox.ac.uk
Ralph PantophletAssociate Professor, Simon Fraser UniversityVerified email at sfu.ca
Geoffrey HutchisonProfessor of Chemistry, University of PittsburghVerified email at pitt.edu
Erica Ollmann SaphireLa Jolla Institute for ImmunologyVerified email at lji.org
Chi-Huey WongThe Scripps Research Institute; Academia SinicaVerified email at gate.sinica.edu.tw
Stefano ForliScripps Research, Dep. Integrative Structural Computational Biology @ForliLabVerified email at scripps.edu
Prof. Jean-Paul EbejerUniversity of MaltaVerified email at um.edu.mt
Carlos OuteiralEric and Wendy Schmidt AI in Science Postdoctoral FellowVerified email at stats.ox.ac.uk
Lucian ChanAstex PharmaceuticalsVerified email at astx.com
Stuart ArmstrongJames Martin Research Fellow, Future of Humanity Institute, Oxford UniversityVerified email at buildaligned.ai

Garrett M. Morris

University of Oxford

Verified email at stats.ox.ac.uk

Computational Chemistry Computer-Aided Drug Design Virtual Screening Docking Machine Learning & AI


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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	22539	2009
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	13217	1998
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	2554	2007
Automated docking of flexible ligands: applications of AutoDock DS Goodsell, GM Morris, AJ Olson Journal of Molecular Recognition 9 (1), 1-5, 1996	2014	1996
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	1341	1996
Molecular Docking GM Morris, M Lim-Wilby Molecular Modeling of Proteins, 365-382, 2008	1201	2008
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	1131	2001
Using AutoDock for Ligand‐Receptor Docking GM Morris, R Huey, AJ Olson Current Protocols in Bioinformatics, 8.14. 1-8.14. 40, 2008	1073	2008
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	634	2002
Using AutoDock 4 and AutoDock Vina with AutoDockTools: A Tutorial R Huey, GM Morris, S Forli The Scripps Research Institute Molecular Graphics Laboratory, 2012	396	2012
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	370	2008
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	240	2012
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	234	2021
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	210	2012
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	171	2005
Using AutoDock with AutoDockTools: A Tutorial R Huey, GM Morris La Jolla, CA: The Scripps Research Institute, Molecular Graphics Laboratory, 2008	163	2008
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	123	2003
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	118	2010
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	97	2024
AutoDockTools4: Automated docking with selective receptor flexibility., 2009, 30 GM Morris, R Huey, W Lindstrom, MF Sanner, RK Belew, DS Goodsell, ... DOI: https://doi. org/10.1002/jcc 21256, 2785-2791, 0	97

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