Michael J. Bodkin

Publication Activity (10 Years)

Years Active: 2007-2021
Publications (10 Years): 6

Top Topics

Clustering Method

Computationally Efficient

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Cheminformatics

Publications

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) (2021)
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) (2020)
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) (2019)
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) (2017)
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) (2017)
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) (2016)
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) (2013)
Hina Patel, Michael J. Bodkin, Beining Chen, Valerie J. Gillet
Design Using Reaction Vectors. J. Chem. Inf. Model. 49 (5) (2009)
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) (2007)