| Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go N Moitessier, P Englebienne, D Lee, J Lawandi, CR Corbeil British journal of pharmacology 153 (S1), S7-S26, 2008 | 714 | 2008 |
| Covalent inhibitors design and discovery S De Cesco, J Kurian, C Dufresne, AK Mittermaier, N Moitessier European Journal of Medicinal Chemistry 138, 96-114, 2017 | 324 | 2017 |
| Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0 CR Corbeil, P Englebienne, N Moitessier Journal of chemical information and modeling 47 (2), 435-449, 2007 | 272 | 2007 |
| A platinum supramolecular square as an effective G-quadruplex binder and telomerase inhibitor R Kieltyka, P Englebienne, J Fakhoury, C Autexier, N Moitessier, ... Journal of the American Chemical Society 130 (31), 10040-10041, 2008 | 245 | 2008 |
| Design and discovery of boronic acid drugs J Plescia, N Moitessier European journal of medicinal chemistry 195, 112270, 2020 | 165 | 2020 |
| Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs CR Corbeil, N Moitessier Journal of Chemical Information and Modeling 49 (4), 997-1009, 2009 | 144 | 2009 |
| Platinum phenanthroimidazole complexes as G‐quadruplex DNA selective binders R Kieltyka, J Fakhoury, N Moitessier, HF Sleiman Chemistry–A European Journal 14 (4), 1145-1154, 2008 | 139 | 2008 |
| 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, ... Digital discovery 2 (5), 1233-1250, 2023 | 129 | 2023 |
| Docking of aminoglycosides to hydrated and flexible RNA N Moitessier, E Westhof, S Hanessian Journal of medicinal chemistry 49 (3), 1023-1033, 2006 | 123 | 2006 |
| Regioselective acylation, alkylation, silylation and glycosylation of monosaccharides J Lawandi, S Rocheleau, N Moitessier Tetrahedron 72 (41), 6283-6319, 2016 | 119 | 2016 |
| Inhibitors of prolyl oligopeptidases for the therapy of human diseases: defining diseases and inhibitors J Lawandi, S Gerber-Lemaire, L Juillerat-Jeanneret, N Moitessier Journal of medicinal chemistry 53 (9), 3423-3438, 2010 | 111 | 2010 |
| Docking ligands into flexible and solvated macromolecules. 4. Are popular scoring functions accurate for this class of proteins? P Englebienne, N Moitessier Journal of Chemical Information and Modeling 49 (6), 1568-1580, 2009 | 106 | 2009 |
| Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics S Hanessian, H Yun, Y Hou, G Yang, M Bayrakdarian, E Therrien, ... Journal of medicinal chemistry 48 (16), 5175-5190, 2005 | 97 | 2005 |
| A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic β-secretase (BACE 1) inhibitors N Moitessier, E Therrien, S Hanessian Journal of medicinal chemistry 49 (20), 5885-5894, 2006 | 90 | 2006 |
| Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of Fitted 1.5 to the Virtual Screening of Potential HCV Polymerase … CR Corbeil, P Englebienne, CG Yannopoulos, L Chan, SK Das, ... Journal of chemical information and modeling 48 (4), 902-909, 2008 | 81 | 2008 |
| Evaluation of docking programs for predicting binding of Golgi α‐mannosidase II inhibitors: A comparison with crystallography P Englebienne, H Fiaux, DA Kuntz, CR Corbeil, S Gerber‐Lemaire, ... Proteins: Structure, Function, and Bioinformatics 69 (1), 160-176, 2007 | 80 | 2007 |
| Combining pharmacophore search, automated docking, and molecular dynamics simulations as a novel strategy for flexible docking. Proof of concept: docking of arginine− glycine … N Moitessier, C Henry, B Maigret, Y Chapleur Journal of medicinal chemistry 47 (17), 4178-4187, 2004 | 80 | 2004 |
| On the mechanism of demethylation of 5-methylcytosine in DNA S Hamm, G Just, N Lacoste, N Moitessier, M Szyf, O Mamer Bioorganic & medicinal chemistry letters 18 (3), 1046-1049, 2008 | 79 | 2008 |
| Challenges and current status of computational methods for docking small molecules to nucleic acids J Luo, W Wei, J Waldispühl, N Moitessier European journal of medicinal chemistry 168, 414-425, 2019 | 77 | 2019 |
| 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 | 77 | 2012 |
Chris CorbeilNational Research Council of CanadaOverená e-mailová adresa na: nrc-cnrc.gc.ca