Development and Validation of a Novel Protein-Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands. - Nathanael Weill; Didier Rognan (J. Chem. Inf. Model., 2009)

Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein-Ligand Binding Sites. - Nathanael Weill; Didier Rognan (J. Chem. Inf. Model., 2010)

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. - Nathanael Weill; Christopher R. Corbeil; Joris W. De Schutter; Nicolas Moitessier (J. Comput. Chem., 2011)

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. - Eric Therrien; Pablo Englebienne; Andrew G. Arrowsmith; Rodrigo Mendoza-Sanchez; Christopher R. Corbeil; Nathanael Weill; Valérie Campagna-Slater; Nicolas Moitessier (J. Chem. Inf. Model., 2012)

Docking Ligands into Flexible and Solvated Macromolecules, 7. Impact of Protein Flexibility and Water Molecules on Docking-Based Virtual Screening Accuracy. - Eric Therrien; Nathanael Weill; Anna Tomberg; Christopher R. Corbeil; Devin Lee; Nicolas Moitessier (J. Chem. Inf. Model., 2014)

LLMcap: Large Language Model for Unsupervised PCAP Failure Detection. - Lukasz Tulczyjew; Kinan Jarrah; Charles Abondo; Dina Bennett; Nathanael Weill (ICC Workshops, 2024)

PCAPVision: PCAP-Based High-Velocity and Large-Volume Network Failure Detection. - Lukasz Tulczyjew; Ihor Biruk; Murat Bilgic; Charles Abondo; Nathanael Weill (NAIC, 2024)