Nicolas Moitessier
Orcid: 0000-0001-6933-2079
According to our database1,
Nicolas Moitessier
authored at least 22 papers
between 2001 and 2023.
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Bibliography
2023
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon.
CoRR, 2023
2022
Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─Challenges and Opportunities.
J. Chem. Inf. Model., 2022
2020
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers.
J. Chem. Inf. Model., 2020
2019
J. Chem. Inf. Model., 2019
Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence.
J. Chem. Inf. Model., 2019
Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems.
J. Chem. Inf. Model., 2019
CoRR, 2019
2018
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules.
J. Chem. Inf. Model., 2018
2017
J. Chem. Inf. Model., 2017
2016
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner.
J. Chem. Inf. Model., 2016
2015
J. Chem. Inf. Model., 2015
2014
Docking Ligands into Flexible and Solvated Macromolecules, 7. Impact of Protein Flexibility and Water Molecules on Docking-Based Virtual Screening Accuracy.
J. Chem. Inf. Model., 2014
Docking Ligands into Flexible and Solvated Macromolecules. 6. Development and Application to the Docking of HDACs and other Zinc Metalloenzymes Inhibitors.
J. Chem. Inf. Model., 2014
2012
Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with Forecaster, a Novel Platform for Drug Discovery.
J. Chem. Inf. Model., 2012
Development of a Computational Tool to Rival Experts in the Prediction of Sites of Metabolism of Xenobiotics by P450s.
J. Chem. Inf. Model., 2012
2011
Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactions.
J. Comput. Chem., 2011
2009
Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins.
J. Chem. Inf. Model., 2009
Docking Ligands into Flexible and Solvated Macromolecules. 4. Are Popular Scoring Functions Accurate for this Class of Proteins?
J. Chem. Inf. Model., 2009
Docking Ligands into Flexible and Solvated Macromolecules. 3. Impact of Input Ligand Conformation, Protein Flexibility, and Water Molecules on the Accuracy of Docking Programs.
J. Chem. Inf. Model., 2009
2008
Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of Fitted 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors.
J. Chem. Inf. Model., 2008
2007
Docking Ligands into Flexible and Solvated Macromolecules, 1. Development and Validation of FITTED 1.0.
J. Chem. Inf. Model., 2007
2001
J. Comput. Aided Mol. Des., 2001