3D QSAR Methods: Phase and Catalyst Compared. - David A. Evans 002; Thompson N. Doman; David A. Thorner; Michael J. Bodkin (J. Chem. Inf. Model., 2007)

Knowledge-Based Approach to de Novo Design Using Reaction Vectors. - Hina Patel; Michael J. Bodkin; Beining Chen; Valerie J. Gillet (J. Chem. Inf. Model., 2009)

ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database. - Nikolas Fechner; George Papadatos; David A. Evans 002; John Richard Morphy; Suzanne Clare Brewerton; David A. Thorner; Michael J. Bodkin (Bioinform., 2013)

The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions. - Alexander Heifetz; Ewa I. Chudyk; Laura Gleave; Matteo Aldeghi; Vadim Cherezov; Dmitri G. Fedorov; Philip C. Biggin; Michael J. Bodkin (J. Chem. Inf. Model., 2016)

Rapid and accurate assessment of GPCR-ligand interactions Using the fragment molecular orbital-based density-functional tight-binding method. - Iñaki Morao; Dmitri G. Fedorov; Roger Robinson; Michelle Southey; Andrea Townsend-Nicholson; Michael J. Bodkin; Alexander Heifetz (J. Comput. Chem., 2017)

Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study. - Matteo Aldeghi; Michael J. Bodkin; Stefan Knapp; Philip C. Biggin (J. Chem. Inf. Model., 2017)

Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry Literature. - Gian Marco Ghiandoni; Michael J. Bodkin; Beining Chen; Dimitar Hristozov; James E. A. Wallace; James Webster; Valerie J. Gillet (J. Chem. Inf. Model., 2019)

Enhancing reaction-based de novo design using a multi-label reaction class recommender. - Gian Marco Ghiandoni; Michael J. Bodkin; Beining Chen; Dimitar Hristozov; James E. A. Wallace; James Webster; Valerie J. Gillet (J. Comput. Aided Mol. Des., 2020)

Learning protein-ligand binding affinity with atomic environment vectors. - Rocco Meli; Andrew Anighoro; Michael J. Bodkin; Garrett M. Morris; Philip C. Biggin (J. Cheminformatics, 2021)

Hotspot Identification and Drug Design of Protein-Protein Interaction Modulators Using the Fragment Molecular Orbital Method. - Stefania Monteleone; Dmitri G. Fedorov; Andrea Townsend-Nicholson; Michelle Southey; Michael J. Bodkin; Alexander Heifetz (J. Chem. Inf. Model., 2022)

Accurate prediction of dynamic protein-ligand binding using P-score ranking. - Peter E. G. F. Ibrahim; Fabio Zuccotto; Ulrich Zachariae; Ian H. Gilbert; Mike Bodkin 001 (J. Comput. Chem., 2024)