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 | 706 | 2008 |
Variability in docking success rates due to dataset preparation CR Corbeil, CI Williams, P Labute Journal of computer-aided molecular design 26 (6), 775-786, 2012 | 431 | 2012 |
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 | 263 | 2007 |
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 | 142 | 2009 |
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 | 80 | 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 | 78 | 2007 |
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 | 74 | 2012 |
Medicinal chemistry projects requiring imaginative structure-based drug design methods N Moitessier, J Pottel, E Therrien, P Englebienne, Z Liu, A Tomberg, ... Accounts of chemical research 49 (9), 1646-1657, 2016 | 64 | 2016 |
Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: development and application of a rapid and accurate program based on organic principles CR Corbeil, S Thielges, JA Schwartzentruber, N Moitessier Angewandte Chemie-German Edition 120 (14), 2675-2678, 2008 | 53 | 2008 |
Structure-based engineering of pH-dependent antibody binding for selective targeting of solid-tumor microenvironment T Sulea, N Rohani, J Baardsnes, CR Corbeil, C Deprez, ... MAbs 12 (1), 1682866, 2020 | 52 | 2020 |
Assisted design of antibody and protein therapeutics (ADAPT) V Vivcharuk, J Baardsnes, C Deprez, T Sulea, M Jaramillo, CR Corbeil, ... PLoS One 12 (7), e0181490, 2017 | 44 | 2017 |
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 | 43 | 2011 |
An ab initio investigation of zinc chloro complexes CC Pye, CR Corbeil, WW Rudolph Physical Chemistry Chemical Physics 8 (46), 5428-5436, 2006 | 40 | 2006 |
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 | 37 | 2014 |
Rapid prediction of solvation free energy. 2. The first-shell hydration (FiSH) continuum model CR Corbeil, T Sulea, EO Purisima Journal of chemical theory and computation 6 (5), 1622-1637, 2010 | 37 | 2010 |
Raman and ab initio investigation of aqueous Cu (I) chloride complexes from 25 to 80 C LM Applegarth, CR Corbeil, DJW Mercer, CC Pye, PR Tremaine The Journal of Physical Chemistry B 118 (1), 204-214, 2014 | 32 | 2014 |
Assessment of solvated interaction energy function for ranking antibody–antigen binding affinities T Sulea, V Vivcharuk, CR Corbeil, C Deprez, EO Purisima Journal of chemical information and modeling 56 (7), 1292-1303, 2016 | 29 | 2016 |
Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design CR Corbeil, N Moitessier Journal of Molecular Catalysis A: Chemical 324 (1-2), 146-155, 2010 | 27 | 2010 |
ProPOSE: Direct exhaustive protein–protein docking with side chain flexibility H Hogues, F Gaudreault, CR Corbeil, C Deprez, T Sulea, EO Purisima Journal of chemical theory and computation 14 (9), 4938-4947, 2018 | 24 | 2018 |
Modeling reality for optimal docking of small molecules to biological targets CR Corbeil, E Therrien, N Moitessier Current Computer-Aided Drug Design 5 (4), 241-263, 2009 | 24 | 2009 |