Nicolas CHERON

Reactivity of CO2-based enzymes, drug discovery, protein-ligand interaction, DNA-ligand interaction, chemical reactivity, theoretical chemistry
Department of Chemistry
, updated on
6 December 2021
1er étage, bureau E111b
24, rue Lhomond 75231 Paris cedex 05
01 44 322448

I am a computational chemist, working mainly on the reactivity of CO2-based enzymes involved in photosynthesis as well as on drug discovery applied to DNA targets.

Field of research

I am a computational chemist, with experience ranging from reactivity in chemistry and biochemistry to drug discovery. Above all, I believe in the predictive power of computational tools and like to work on applied problems in collaboration with experimentalists, aiming to use numerical studies before bench work. I am currently working on enzymes involved in the CO2 capture during the second step of photosynthesis, as well as on drug design applied to non-conventional DNA targets.

Previous work focused on the study of (1) mechanisms in organic chemistry, rationalisation of experimental results and the prediction of new reactions, (2) design of new protein inhibitors and development of new algorithms to improve high-throughput virtual screening, and (3) enzymatic reactivity in non-aqueous media.


Protein Preferential Solvation in Water:Glycerol Mixtures

Journal of Physical Chemistry B, Vol. 124 (2020), pp 1424-1437.

Nicolas Chéron, Margaux Naepels, Eva Pluharová, Damien Laage

OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands

Journal of Medicinal Chemistry, Vol. 59 (2016), pp 4171-4188 (Special Issue: Computational Methods for Medicinal Chemistry).

Nicolas Chéron, Naveen Jasty, Eugene Shakhnovich

Challenging 50 years of established views on Ugi reaction: a theoretical approach

The Journal of Organic Chemistry, Vol. 77 (2012), pp 1361-1366.

Nicolas Chéron, Romain Ramozzi, Laurent El Kaïm, Laurence Grimaud, Paul Fleurat-Lessard