Timeline

  1. Wei W., Luo J., Waldisphul J., Moitessier, N. Predicting Positions of Bridging Water Molecules in Nucleic Acid-Ligand Complexes. Journal of Chemical Information and Modeling 2019, 59, 2941-2951. link

  2. Therrien E., Weill N., Tomberg A., Corbeil C.R., Lee D., Moitessier N. Docking Ligands into Flexible and Solvated Macromolecules. 7. Impact of Protein Flexibility and Water Molecules on Docking-based Virtual Screening Accuracy. Journal of Chemical Information and Modeling 2014, 54, 3198–3210. link

  3. Pottel J., Therrien E., Gleason J.L., Moitessier N. Docking Ligands into Flexible and Solvated Macromolecules. 6. Development and Application to the Docking of HDACs and other Zinc Metalloenzymes Inhibitors. Journal of Chemical Information and Modeling 2014, 54, 254-265. link

  4. Campagna-Slater V., Therrien E., Weill N., Moitessier N. Methods for Docking Small Molecules to Macromolecules: A User's Perspective. 2. Applications. Current Pharmaceutical Design 2014, 20, 3360-3372. link

  5. Weill N., Therrien E., Campagna-Slater V., Moitessier N. Methods for Docking Small Molecules to Macromolecules: A User's Perspective. 1. The Theory. Current Pharmaceutical Design 2014, 20, 3338-3359. link

  6. Therrien E., Englebienne P., Arrowsmith A.G., Mendoza-Sanchez R., Corbeil C.R., Weill N., Campagna-Slater V., Moitessier N., Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulatorswith FORECASTER, a novel platform for drug discovery. Journal of Chemical Information and Modeling 2012, 52, 210-224. link

  7. Englebienne P., Moitessier N., Docking ligands into flexible and solvated macromolecules. 5. Force-field-based prediction of binding affinities of ligands to proteins. Journal of Chemical Information and Modeling 2009, 49, 2564-2571. link

  8. Englebienne P., Moitessier N., Docking ligands into flexible and solvated macromolecules. 4. Are popular scoring functions accurate for this class of proteins? Journal of Chemical Information and Modeling 2009, 49, 1568-1580. link

  9. Corbeil C.R., Moitessier N., Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs. Journal of Chemical Information and Modeling 2009, 49, 997-1009. link

  10. Corbeil C.R., Englebienne P., Yannopoulos C.G., Chan L., Das S.K., Bilimoria D., L'Heureux L., Moitessier N., Docking ligands into flexible and solvated macromolecules. 2. Development and application of FITTED 1.5 to the virtual screening of potential HCV polymerase inhibitors. Journal of Chemical Information and Modeling 2008, 48, 902-909. link

  11. Corbeil C.R., Englebienne P., Moitessier N., Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0. Journal of Chemical Information and Modeling 2007, 47, 435-449. link

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