Articles with public access mandates - Garrett M. MorrisLearn more
Available somewhere: 36
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
Mandates: US National Institutes of Health
Using AutoDock for Ligand‐Receptor Docking
GM Morris, R Huey, AJ Olson
Current Protocols in Bioinformatics, 8.14. 1-8.14. 40, 2008
Mandates: US National Institutes of Health
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
Mandates: US National Institutes of Health
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
Mandates: UK Engineering and Physical Sciences Research Council
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
Mandates: UK Engineering and Physical Sciences Research Council
A dynamic model of HIV integrase inhibition and drug resistance
AL Perryman, S Forli, GM Morris, C Burt, Y Cheng, MJ Palmer, K Whitby, ...
Journal of molecular biology 397 (2), 600-615, 2010
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding
HTH Chan, MA Moesser, RK Walters, TR Malla, RM Twidale, T John, ...
Chemical science 12 (41), 13686-13703, 2021
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ...
Science 382 (6671), eabo7201, 2023
Mandates: US National Institutes of Health, UK Engineering and Physical Sciences …
One size does not fit all: the limits of structure-based models in drug discovery
GA Ross, GM Morris, PC Biggin
Journal of chemical theory and computation 9 (9), 4266-4274, 2013
Mandates: UK Engineering and Physical Sciences Research Council
Learning Protein-Ligand Binding Affinity with Atomic Environment Vectors
R Meli, A Anighoro, M Bodkin, G Morris, P Biggin
ChemRxiv, 2020
Mandates: UK Biotechnology and Biological Sciences Research Council
Characterization of the SARS-CoV-2 ExoN (nsp14ExoN–nsp10) complex: implications for its role in viral genome stability and inhibitor identification
HT Baddock, S Brolih, Y Yosaatmadja, M Ratnaweera, M Bielinski, ...
Nucleic acids research 50 (3), 1484-1500, 2022
Mandates: Cancer Research UK, UK Medical Research Council, Wellcome Trust
Bayesian optimization for conformer generation
L Chan, GR Hutchison, GM Morris
Journal of Cheminformatics 11 (1), 32, 2019
Mandates: US National Science Foundation, UK Engineering and Physical Sciences …
Functional proteomic and structural insights into molecular recognition in the nitrilase family enzymes
KT Barglow, KS Saikatendu, MH Bracey, R Huey, GM Morris, AJ Olson, ...
Biochemistry 47 (51), 13514-13523, 2008
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Assessing the role of polarization in docking
CJR Illingworth, GM Morris, KEB Parkes, CR Snell, CA Reynolds
The Journal of Physical Chemistry A 112 (47), 12157-12163, 2008
Mandates: US National Institutes of Health
Understanding Conformational Entropy in Small Molecules
L Chan, GM Morris, GR Hutchison
Journal of Chemical Theory and Computation 17 (4), 2099-2106, 2021
Mandates: US National Science Foundation, US Department of Energy, UK Engineering and …
Automated docking with protein flexibility in the design of femtomolar “click chemistry” inhibitors of acetylcholinesterase
GM Morris, LG Green, Z Radić, P Taylor, KB Sharpless, AJ Olson, ...
Journal of chemical information and modeling 53 (4), 898-906, 2013
Mandates: US National Institutes of Health
Understanding the Structural Requirements for Activators of the Kef Bacterial Potassium Efflux System
J Healy, S Ekkerman, C Pliotas, M Richard, W Bartlett, SC Grayer, ...
Biochemistry 53 (12), 1982-1992, 2014
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Open science discovery of oral non-covalent SARS-CoV-2 main protease inhibitor therapeutics
H Achdout, A Aimon, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, ...
bioRxiv, 2020.10. 29.339317, 2021
Mandates: Wellcome Trust
Understanding Ring Puckering in Small Molecules and Cyclic Peptides
L Chan, GR Hutchison, GM Morris
Journal of Chemical Information and Modeling 61 (2), 743-755, 2021
Mandates: US National Science Foundation, US Department of Energy, UK Engineering and …
Exploring QSAR models for activity-cliff prediction
M Dablander, T Hanser, R Lambiotte, GM Morris
Journal of Cheminformatics 15 (1), 47, 2023
Mandates: UK Engineering and Physical Sciences Research Council
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