Katia Le Barbu-Debus

9PUBLICATIONS
23CO-AUTHORS
Chemical thermodynamics and energeticsCheminformatics and quantitative structure-activity relationshipsOptical properties of materialsProteins and peptidesStructural properties of condensed matter
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Publications (9)

|Jan 06, 2026
Modeling the Vibrational Circular Dichroism Spectroscopy of Phenylcyclohexanediol Solvated in Dimethyl Sulfoxide Using Polarizable Molecular Dynamics.

Emeline Boyer, Lou C G D'haese, Jessica Bowles

|Mar 20, 2024
Homochiral vs. heterochiral preference in chiral self-recognition of cyclic diols.

Jennifer Dupont, Beppo Hartwig, Katia Le Barbu-Debus

|Oct 09, 2023
Induced photoelectron circular dichroism onto an achiral chromophore.

Etienne Rouquet, Madhusree Roy Chowdhury, Gustavo A Garcia

|Jan 10, 2023
Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model.

Zeynab Imani, Venkateswara Rao Mundlapati, Valérie Brenner

|Nov 28, 2022
How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State.

Sascha Jähnigen, Katia Le Barbu-Debus, Régis Guillot

|Aug 15, 2022
How change in chirality prevents β-amyloid type interaction in a protonated cyclic dipeptide dimer.

Katia Le Barbu-Debus, Ariel Pérez-Mellor, Valéria Lepère

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Frequent Collaborators

9 joint publications

Anne Zehnacker-Rentien

3 joint publications

Venkateswara Rao Mundlapati

3 joint publications

Zeynab Imani

3 joint publications

Eric Gloaguen