Michael J. Bodkin

According to our database, Michael J. Bodkin authored at least 11 papers between 2007 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Accurate prediction of dynamic protein-ligand binding using <i>P-score</i> ranking.

Peter E. G. F. Ibrahim, Fabio Zuccotto, Ulrich Zachariae, Ian H. Gilbert, Mike Bodkin

J. Comput. Chem., July, 2024

2022

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

2021

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

2020

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

2019

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

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., September, 2017

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

2016

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

2013

ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database.

Nikolas Fechner, George Papadatos, David A. Evans, John Richard Morphy, Suzanne Clare Brewerton, David A. Thorner, Michael J. Bodkin

Bioinform., 2013

2009

Knowledge-Based Approach to <i>de Novo</i> Design Using Reaction Vectors.

Hina Patel, Michael J. Bodkin, Beining Chen, Valerie J. Gillet

J. Chem. Inf. Model., 2009

2007

3D QSAR Methods: Phase and Catalyst Compared.

David A. Evans, Thompson N. Doman, David A. Thorner, Michael J. Bodkin

J. Chem. Inf. Model., 2007