Moitessier, Nicolas

Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go

Moitessier, N., Englebienne, P., Lee, D., Lawandi, J., & Corbeil, C. R. (2008) · British Journal of Pharmacology

Computational Drug Discovery MethodsCholinesterase and Neurodegenerative Diseases

Cited by 514

Covalent inhibitors design and discovery.

De Cesco, S., Kurian, J., Dufresne, C., Mittermaier, A. K., & Moitessier, N. (2017) · European Journal of Medicinal Chemistry

Click Chemistry and ApplicationsComputational Drug Discovery Methods

Cited by 315

14 examples of how LLMs can transform materials science and chemistry: A reflection on a large language model hackathon

Jablonka, K. M., Ai, Q., Al-Feghali, A., Badhwar, S., Bocarsly, J. D., Bran, A. M., Bringuier, S., Brinson, L. C., Choudhary, K., Circi, D., et al. (2023) · Digital Discovery

Machine Learning in Materials ScienceArtificial Intelligence Applications

Cited by 218

Design and discovery of boronic acid drugs

Plescia, J., & Moitessier, N. (2020) · European Journal of Medicinal Chemistry

Organoboron and organosilicon chemistryBoron Compounds in Chemistry

Cited by 201

Docking Ligands into Flexible and Solvated Macromolecules. 6. Development and Application to the Docking of HDACs and other Zinc Metalloenzymes Inhibitors

Pottel, J., Therrien, E., Gleason, J. L., & Moitessier, N. (2014) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 48