Docking ligands into flexible and solvated macromolecules. 4. Are popular scoring functions accurate for this class of proteins?
Englebienne P, Moitessier N, J Chem Inf Model, 2009 Jun - link

Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs.
Corbeil CR, Moitessier N, J Chem Inf Model, 2009 Apr - link

Functional characterization and in silico docking of full and partial GluK2 kainate receptor agonists.
Fay AM, Corbeil CR, Brown P, Moitessier N, Bowie D, Mol Pharmacol, 2009 May - link

Docking ligands into flexible and solvated macromolecules. 2. Development and application of fitted 1.5 to the virtual screening of potential HCV polymerase inhibitors.
Corbeil CR, Englebienne P, Yannopoulos CG, Chan L, Das SK, Bilimoria D, L'heureux L, Moitessier N, J Chem Inf Model, 2008 Apr - link

Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.
Moitessier N, Englebienne P, Lee D, Lawandi J, Corbeil CR, Br J Pharmacol, 2008 Mar - link

Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Englebienne P, Fiaux H, Kuntz DA, Corbeil CR, Gerber-Lemaire S, Rose DR, Moitessier N, Proteins, 2007 Oct 1 - link

Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0.
Corbeil CR, Englebienne P, Moitessier N, J Chem Inf Model, 2007 Mar-Apr - link

A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors.
Moitessier N, Therrien E, Hanessian S, J Med Chem, 2006 Oct 5 - link

Docking of aminoglycosides to hydrated and flexible RNA.
Moitessier N, Westhof E, Hanessian S, J Med Chem, 2006 Feb 9 - link

Combining pharmacophore search, automated docking, and molecular dynamics simulations as a novel strategy for flexible docking. Proof of concept: docking of arginine-glycine-aspartic acid-like compounds into the alphavbeta3 binding site.
Moitessier N, Henry C, Maigret B, Chapleur Y, J Med Chem, 2004 Aug 12 - link

A comparative docking study and the design of potentially selective MMP inhibitors.
Hanessian S, Moitessier N, Therrien E, J Comput Aided Mol Des, 2001 Oct - link