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ORCIDMichael J. Bodkin
Person information
- affiliation: University of Dundee, Division of Biological Chemistry and Drug Discovery, Drug Discovery Unit, UK
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2020 – today
- 2024
[j11]Peter E. G. F. Ibrahim
, Fabio Zuccotto, Ulrich Zachariae, Ian H. Gilbert, Mike Bodkin:
Accurate prediction of dynamic protein-ligand binding using P-score ranking. J. Comput. Chem. 45(20): 1762-1778 (2024)- 2022
- [j10]Stefania Monteleone, Dmitri G. Fedorov, Andrea Townsend-Nicholson, Michelle Southey, Michael J. Bodkin, Alexander Heifetz:
Hotspot Identification and Drug Design of Protein-Protein Interaction Modulators Using the Fragment Molecular Orbital Method. J. Chem. Inf. Model. 62(16): 3784-3799 (2022) - 2021
- [j9]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) - 2020
- [j8]Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen, Dimitar Hristozov, James E. A. Wallace, James Webster, Valerie J. Gillet:
Enhancing reaction-based de novo design using a multi-label reaction class recommender. J. Comput. Aided Mol. Des. 34(7): 783-803 (2020)
2010 – 2019
- 2019
- [j7]Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen, Dimitar Hristozov, James E. A. Wallace, James Webster, Valerie J. Gillet:
Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry Literature. J. Chem. Inf. Model. 59(10): 4167-4187 (2019) - 2017
- [j6]Iñaki Morao, Dmitri G. Fedorov, Roger Robinson, Michelle Southey, Andrea Townsend-Nicholson, Michael J. Bodkin, Alexander Heifetz:
Rapid and accurate assessment of GPCR-ligand interactions Using the fragment molecular orbital-based density-functional tight-binding method. J. Comput. Chem. 38(23): 1987-1990 (2017) - [j5]Matteo Aldeghi, Michael J. Bodkin, Stefan Knapp, Philip C. Biggin:
Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study. J. Chem. Inf. Model. 57(9): 2203-2221 (2017) - 2016
- [j4]Alexander Heifetz, Ewa I. Chudyk, Laura Gleave, Matteo Aldeghi, Vadim Cherezov, Dmitri G. Fedorov, Philip C. Biggin, Michael J. Bodkin:
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions. J. Chem. Inf. Model. 56(1): 159-172 (2016) - 2013
- [j3]Nikolas Fechner, George Papadatos, David A. Evans, John Richard Morphy, Suzanne Clare Brewerton, David A. Thorner, Michael J. Bodkin:
ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database. Bioinform. 29(4): 523-524 (2013)
2000 – 2009
- 2009
- [j2]Hina Patel, Michael J. Bodkin, Beining Chen, Valerie J. Gillet:
Knowledge-Based Approach to de Novo Design Using Reaction Vectors. J. Chem. Inf. Model. 49(5): 1163-1184 (2009) - 2007
- [j1]David A. Evans, Thompson N. Doman, David A. Thorner, Michael J. Bodkin:
3D QSAR Methods: Phase and Catalyst Compared. J. Chem. Inf. Model. 47(3): 1248-1257 (2007)
Coauthor Index
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