Search filters

List of works by Nicolas Chéron

A Hybrid Knowledge-Based and Empirical Scoring Function for Protein-Ligand Interaction: SMoG2016.

scientific article published on 13 February 2017

A qualitative failure of B3LYP for textbook organic reactions ⬇️

scientific article published on April 10, 2012

A valence bond view of isocyanides' electronic structure

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

scientific article published on 25 January 2012

Click-Chemistry-Based Biomimetic Ligands Efficiently Capture G-Quadruplexes <i>In Vitro</i> and Help Localize Them at DNA Damage Sites in Human Cells

scientific article published in 2022

Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

scientific article published on 4 July 2017

Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations

scientific article published in June 2017

Evidences for the key role of hydrogen bonds in nucleophilic aromatic substitution reactions

scientific article published on 23 November 2011

Evolutionary dynamics of viral escape under antibodies stress: A biophysical model.

scientific article

How does microhydration impact on structure, spectroscopy and formation of disulfide radical anions? An ab initio investigation on dimethyldisulfide

Predicting new Ugi-smiles couplings: a combined experimental and theoretical study

scientific article published on 05 June 2014

Protein Preferential Solvation in Water:Glycerol Mixtures

scientific article published on 18 February 2020

Repurposing of rutin for the inhibition of norovirus replication

scientific article published on 26 June 2015

Substituent effects in Ugi-smiles reactions

scientific article published on 13 August 2013

Paulina is supported by:

About Paulina

Help