List of works - Nicolas Moitessier

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

scientific article published in January 2023

4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.

scientific article

Accurately Modeling the Conformational Preferences of Nucleosides.

scientific article published on 13 September 2017

Active Site Crowding of Cytochrome P450 3A4 as a Strategy To Alter Its Selectivity.

scientific article

Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis

scientific article published on 17 July 2018

Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems

scientific article published on 22 October 2019

Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules

scientific article published on 18 December 2017

Challenges and current status of computational methods for docking small molecules to nucleic acids

scientific article published on 15 February 2019

Complete Kinetic Characterization of Enzyme Inhibition in a Single Isothermal Titration Calorimetric Experiment

scientific article published on 06 July 2018

Covalent inhibitors design and discovery.

scientific article published on 10 June 2017

Customizable Generation of Synthetically Accessible, Local Chemical Subspaces.

scientific article

Discovery of covalent prolyl oligopeptidase boronic ester inhibitors

scientific article published on 18 October 2019

Exploring Atypical Fluorine-Hydrogen Bonds and Their Effects on Nucleoside Conformations

scientific article published on 09 October 2018

Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism

scientific article

Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α

scientific article published on 22 August 2019

Measuring Rapid Time-Scale Reaction Kinetics Using Isothermal Titration Calorimetry.

scientific article published on 07 June 2017

Predicting Positions of Bridging Water Molecules in Nucleic Acid-Ligand Complexes

scientific article published on 02 May 2019

Revised Mechanism for a Ruthenium-Catalyzed Coupling of Aldehyde and Terminal Alkyne

scientific article published on 16 March 2018

Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence

scientific article published on 19 September 2019

List of works by Nicolas Moitessier

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

4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.

Accurately Modeling the Conformational Preferences of Nucleosides.

Active Site Crowding of Cytochrome P450 3A4 as a Strategy To Alter Its Selectivity.

Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis

Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems

Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules

Challenges and current status of computational methods for docking small molecules to nucleic acids

Complete Kinetic Characterization of Enzyme Inhibition in a Single Isothermal Titration Calorimetric Experiment

Covalent inhibitors design and discovery.

Customizable Generation of Synthetically Accessible, Local Chemical Subspaces.

Discovery of covalent prolyl oligopeptidase boronic ester inhibitors

Exploring Atypical Fluorine-Hydrogen Bonds and Their Effects on Nucleoside Conformations

Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism

Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α

Measuring Rapid Time-Scale Reaction Kinetics Using Isothermal Titration Calorimetry.

Predicting Positions of Bridging Water Molecules in Nucleic Acid-Ligand Complexes

Revised Mechanism for a Ruthenium-Catalyzed Coupling of Aldehyde and Terminal Alkyne

Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence