Projects per year
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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Collaborations and top research areas from the last five years
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Structure-guided drug discovery coalition
Baragana, B. (Investigator), Bodkin, M. (Investigator), Gilbert, I. (Investigator) & Postis, V. (Investigator)
1/07/24 → 31/12/26
Project: Research
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Development of a Preclinical Candidate for Chagas Disease That Acts Through Inhibition of Trypanosoma Cruzi Squalene Synthase
Bodkin, M. (Investigator), De Rycker, M. (Investigator), Gilbert, I. (Investigator), Gray, D. (Investigator) & Read, K. (Investigator)
Project: Research
Research output
- 5 Article
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Accurate prediction of dynamic protein-ligand binding using P-score ranking
E. G. F. Ibrahim, P., Zuccotto, F., Zachariae, U., Gilbert, I. & Bodkin, M. (Lead / Corresponding author), 30 Jul 2024, In: Journal of Computational Chemistry. 45, 20, p. 1762-1778 17 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile53 Downloads (Pure) -
Design of the Global Health chemical diversity library v2 for screening against infectious diseases
Wilson, C., Gardner, J. M. F., Gray, D., Baragana, B., Wyatt, P., Cookson, A., Thompson, S., Mendoza Martinez, C., Bodkin, M., Gilbert, I. (Lead / Corresponding author) & Tarver, G. (Lead / Corresponding author), 27 Dec 2023, In: PLoS Neglected Tropical Diseases. 17, 12, 13 p., e0011799.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)65 Downloads (Pure) -
RENATE: A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo Design
Ghiandoni, G. M., Bodkin, M. J., Chen, B., Hristozov, D., Wallace, J. E. A., Webster, J. & Gillet, V. J. (Lead / Corresponding author), Apr 2022, In: Molecular Informatics. 41, 4, 8 p., 2100207.Research output: Contribution to journal › Article › peer-review
Open AccessFile8 Citations (Scopus)32 Downloads (Pure) -
Enhancing reaction-based de novo design using a multi-label reaction class recommender
Ghiandoni, G. M., Bodkin, M. J., Chen, B., Hristozov, D., Wallace, J. E. A., Webster, J. & Gillet, V. J. (Lead / Corresponding author), Jul 2020, In: Journal of Computer-Aided Molecular Design. 34, 7, p. 783-803 21 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile13 Citations (Scopus)27 Downloads (Pure) -
Development and Application of a Data-Driven Reaction Classification Model: Comparison of an ELN and the Medicinal Chemistry Literature
Ghiandoni, G. M., Bodkin, M. J., Chen, B., Hristozov, D., Wallace, J. E. A., Webster, J. & Gillet, V. J. (Lead / Corresponding author), 28 Oct 2019, In: Journal of Chemical Information and Modeling. 59, 10, p. 4167-4187 21 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile33 Citations (Scopus)39 Downloads (Pure)