| Alignment-free ultra-high-throughput comparison of druggable protein− ligand binding sites N Weill, D Rognan Journal of chemical information and modeling 50 (1), 123-135, 2010 | 142 | 2010 |
| Development and validation of a novel protein− ligand fingerprint to mine chemogenomic space: application to G protein-coupled receptors and their ligands N Weill, D Rognan Journal of chemical information and modeling 49 (4), 1049-1062, 2009 | 105 | 2009 |
| Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a … E Therrien, P Englebienne, AG Arrowsmith, R Mendoza-Sanchez, ... Journal of chemical information and modeling 52 (1), 210-224, 2012 | 71 | 2012 |
| Platinum (II) Phenanthroimidazoles for Targeting Telomeric G‐Quadruplexes KJ Castor, J Mancini, J Fakhoury, N Weill, R Kieltyka, P Englebienne, ... ChemMedChem 7 (1), 85-94, 2012 | 47 | 2012 |
| Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics‐based program ACE and application to … N Weill, CR Corbeil, JW De Schutter, N Moitessier Journal of Computational Chemistry 32 (13), 2878-2889, 2011 | 42 | 2011 |
| Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy E Therrien, N Weill, A Tomberg, CR Corbeil, D Lee, N Moitessier Journal of Chemical Information and Modeling 54 (11), 3198-3210, 2014 | 36 | 2014 |
| Methods for docking small molecules to macromolecules: A user’s perspective. 1. The theory N Weill, E Therrien, V Campagna-Slater, N Moitessier Current Pharmaceutical Design 20 (20), 3338-3359, 2014 | 25 | 2014 |
| Identification of Nonpeptide Oxytocin Receptor Ligands by Receptor‐Ligand Fingerprint Similarity Search N Weill, C Valencia, S Gioria, P Villa, M Hibert, D Rognan Molecular informatics 30 (6‐7), 521-526, 2011 | 21 | 2011 |
| MiRBooking simulates the stoichiometric mode of action of microRNAs N Weill, V Lisi, N Scott, P Dallaire, J Pelloux, F Major Nucleic Acids Research 43 (14), 6730-6738, 2015 | 18 | 2015 |
| Chemogenomic approaches for the exploration of GPCR space N Weill Current Topics in Medicinal Chemistry 11 (15), 1944-1955, 2011 | 13 | 2011 |
| Methods for docking small molecules to macromolecules: A user’s perspective. 2. Applications V Campagna-Slater, E Therrien, N Weill, N Moitessier Current Pharmaceutical Design 20 (20), 3360-3372, 2014 | 10 | 2014 |
| Does considering water molecules and protein flexibility matter in structure based virtual screening? N Weill, E Therrien, N Moitessier ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011 | | 2011 |
| Développement et utilisation de nouveaux descripteurs moléculaires à des fins de criblage virtuel en chémogénomique N Weill Strasbourg, 2009 | | 2009 |
| Development of new in silico methods to identify ligands for orphan GPCR N Weill, D Rognan Chemistry Central Journal 2 (Suppl 1), S17, 2008 | | 2008 |
| Tutorial on Machine Learning. Part 1. Impact of dataset composition on models performance G Marcou, N Weill, D Horvath, D Rognan, A Varnek | | |
