1. Pottel J., Moitessier N. Customizable Generation of Synthetically Accessible, Local Chemical Subspaces. "Journal of Chemical Information and Modeling" (2017), in Press. link

  2. Bezanson M., Tomberg, A., Moitessier N. Fluoride-mediated desulfonylative intramolecular cyclization to fused and bridged bicyclic compounds: A complex mechanism. "Journal of Organic Chemistry" (2017), in Press. link

  3. Rocheleau, S., Pottel, J., Huskic, I., Moitessier N. Highly Regioselective Monoacylation of Unprotected Glucopyranoside using Transient Directing-Protecting Groups. "European Journal of Organic Chemistry" (2017), 646–656. link

  4. Schiavini, P., Cheong K.J., Moitessier N., Auclair K. Active site crowding of P450 3A4 as a strategy to alter its selectivity. "ChemBioChem" (2017), 18, 248 –252 . link

  5. Lawandi J., Rocheleau S., Moitessier N. Regioselective acylation, alkylation, silylation and glycosylation of monosaccharides. "Tetrahedron" (2016), 72, 6283-6319. link

  6. McCracken, A. N., McMonigle, R. J., Tessier, J., Fransson, R., Perryman, M. S., Chen, B., Keebaugh, A., Selwan, E., Barr, S. A., Kim, S. M., Roy, S. G., Liu, G., Fallegger, D., Sernissi, L., Brandt, C., Moitessier, N., Snider, A. J., Clare, S., Muschen, M., Huwiler, A., Kleinman, M. T., Hanessian, S., Edinger, A. L.Phosphorylation of a constrained azacyclic FTY720 analog enhances anti-leukemic activity without inducing S1P receptor activation "Leukemia" (2016), 1–9. link

  7. Moitessier N., Pottel J., Therrien E., Englebienne P., Liu Z., Tomberg A., Corbeil C.R. Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods. "Accounts of Chemical Reserach" (2016), 49 (9), 1646–1657. link

  8. Liu Z., Pottel J., Shahamat M., Tomberg A., Labute P., Moitessier N. Elucidating hyperconjugation from electronegativity to predict drug conformational energy in a high throughput manner. "Journal of Chemical Information and Modeling" (2016), 56 (4), 788–801. link

  9. Pottel J., Moitessier N. Efficient Transition State Modeling Using Molecular Mechanics Force Fields for the Everyday Chemist. In Reviews in Computational Chemistry, A. Parrill and K.B. Lipkowitz, Eds., Wiley, New York, 2016; Vol. 29; pp 152-185. link

  10. Bushuyev O. S., Tomberg A., Vinden J., Moitessier N., Barrett C.J., Friščić T. Azo···phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals. "Chemical Communications" (2016), 52, 2103-2106. link

  11. Mariaule G., De Cesco S., Airaghi F., Kurian J., Schiavini P., Rocheleau S., Huskić I., Auclair K., Mittermaier A., Moitessier N. 3-Oxo-hexahydro-1H-isoindole-4-carboxylic acid as a Drug Chiral Bicyclic Scaffold: Structure-based Design and Preparation of Conformationally Constrained Covalent and Non-Covalent Prolyl Oligopeptidase Inhibitors. "Journal of Medicinal Chemistry" (2016), 59 (9), 4221–4234. link

  12. Pottel J., Moitessier N. Single-Point Mutation with a Rotamer Library Toolkit: Toward Protein Engineering. "Journal of Chemical Information and Modeling" (2015), 55, 12, 2657–2671. link

  13. Mendoza-Sancheza R., Cotnoir-Whiteb D., Kulpab J., Jutrasb I., Pottel J., Moitessier N., Maderb S., Gleason J.L. Design, Synthesis and Evaluation of Antiestrogen and Histone Deacetylase Inhibitor Molecular Hybrids. "Bioorganic & Medicinal Chemistry" (2015), 23, 24, 7597–7606. link

  14. Tomberg A., De Cesco S., Huot M., Moitessier N. Solvent effect in diastereoselective intramolecular Diels–Alder reactions. "Tetrahedron Letters" (2015), 56, 49, 6852–6856. link

  15. Tomberg A., Pottel J., Liu Z., Labute P., Moitessier N. Understanding P450-mediated Bio-transformations into Epoxide and Phenolic Metabolites. "Angewandte Chemie International Edition" (2015),54, 11, 13743–13747. link

  16. Schiavini P., Pottel J., Moitessier N., Auclair K. Metabolic Instability of Cyanothiazolidine-Based Prolyl Oligopeptidase Inhibitors: a Structural Assignment Challenge and Potential Medicinal Chemistry Implications. "ChemMedChem" (2015), 10, 1174-1183. link

  17. Schiavini P., Dawe B., Bowie D., Moitessier N. Discovery of novel small-molecule antagonists for GluK2. "Bioorganic & Medicinal Chemistry Letters" (2015), 25, 11, 2416-2420. link

  18. 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, 11, 3198–3210. link

  19. 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, 1, 254-265. link

  20. Castor, K. J., Liu, Z., Fakhoury, J., Hancock, M. A., Mittermaier, A., Moitessier, N. and Sleiman, H. F. A Platinum(II) Phenylphenanthroimidazole with an Extended Side-Chain Exhibits Slow Dissociation from a c-Kit G-Quadruplex Motif. "Chemistry - A European Journal" (2013), 52, 19, 17836–17845. link

  21. 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), 20,20, 3360-72. link

  22. 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), 20,20, 3338-59. link

  23. Bezanson, M., Pottel, J., Bilbeisi, R., Toumieux, S., Cueto, M., Moitessier, N., Stereo- and Regioselective Synthesis of Polysubstituted Chiral 1,4-Oxazepanes "J. Org. Chem." (2013), 78, 3, 872–885 link

  24. Campagna-Slater V., Pottel J., Therrien E., Cantin L.-D., Moitessier N. Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by P450s "Journal of Chemical Information and Modeling" (2012), 52, 9, 2471-2483 link

  25. De Cesco S., Deslandes S., Therrien E., Levan D., Cueto M., Schmidt R., Cantin L.-D., Mittermaier A., Juillerat-Jeanneret L., Moitessier N. Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells "Journal of Medicinal Chemistry" (2012), 55, 14, 6306-6315 link

  26. 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, 1, 210-224 link

  27. Castor K.J., Mancini J., Fakhoury J., Weill N., Kieltyka R., Englebienne P., Avakyan N., Mittermaier A., Autexier C., Moitessier N., Sleiman H.F. Platinum(II) phenanthroimidazoles for targeting telomeric G-quadruplexes "ChemMedChem" (2012), 7, 1, 85-94 link

  28. Lawandi J., Rocheleau S., Moitessier N. Directing/protecting groups mediate highly regioselective glycosylation of monoprotected acceptors "Tetrahedron" (2011), 67, 43, 8411-8420 link

  29. Weill N., Corbeil C.R., De Schutter J.W., Moitessier N. Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactions "Journal of Computational Chemistry" (2011), 32, 13, 2878-2889 link

  30. Lamblin M., Spingarn R., Wang T.-T., Burger M.C., Dabbas B., Moitessier N., White J.H., Gleason J.L. An o -aminoanilide analogue of 1α,25-dihydroxyvitamin D-3 functions as a strong vitamin D receptor antagonist "Journal of Medicinal Chemistry" (2010), 53, 20, 7461-7465 link

  31. Huot M., Moitessier N. Expedient synthesis of novel bicyclic peptidomimetic scaffolds "Tetrahedron Letters" (2010), 51, 21, 2820-2823 link

  32. Lawandi J., Gerber-Lemaire S., Juillerat-Jeanneret L., Moitessier N. Inhibitors of prolyl oligopeptidases for the therapy of human diseases: Defining diseases and inhibitors "Journal of Medicinal Chemistry" (2010), 53, 9, 3423-3438 link

  33. Corbeil C.R., Moitessier N. Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design "Journal of Molecular Catalysis A: Chemical" (2010), 324, 1-2, 146-155 link

  34. Kieltyka R., Englebienne P., Moitessier N., Sleiman H. Quantifying interactions between G-quadruplex DNA and transition-metal complexes. "Methods in molecular biology (Clifton (2010), N.J.)", 608, -223 link

  35. Corbeil C.R., Therrien E., Moitessier N. Modeling reality for optimal docking of small molecules to biological targets "Current Computer-Aided Drug Design" (2009), 5, 4, 241-263 link

  36. 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, 11, 2564-2571 link

  37. Lawandi J., Toumieux S., Seyer V., Campbell P., Thielges S., Juillerat-Jeanneret L., Moitessier N. Constrained peptidomimetics reveal detailed geometric requirements of covalent prolyl oligopeptidase inhibitors "Journal of Medicinal Chemistry" (2009), 52, 21, 6672-6684 link

  38. 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, 6, 1568-1580 link

  39. Fay A.-M.L., Corbeil C.R., Brown P., Moitessier N., Bowie D. Functional characterization and in silico docking of full and partial GluK2 kainate receptor agonists "Molecular Pharmacology" (2009), 75, 5, 1096-1107 link

  40. 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, 4, 997-1009 link

  41. Kieltyka R., Englebienne P., Fakhoury J., Autexier C., Moitessier N., Sleiman H.F. A platinum supramolecular square as an effective G-quadruplex binder and telomerase inhibitor "Journal of the American Chemical Society" (2008), 130, 31, 10040-10041 link

  42. 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, 4, 902-909 link

  43. Corbeil C.R., Thielges S., Schwartzentruber J.A., Moitessier N. Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development and application of a rapid and accurate program based on organic principles "Angewandte Chemie - International Edition" (2008), 47, 14, 2635-2638 link

  44. Moitessier N., Englebienne P., Lee D., Lawandi J., Corbeil C.R. Towards the development of universal, fast and highly accurate docking/scoring methods: A long way to go "British Journal of Pharmacology" (2008), 153, SUPPL. 1, S7-S26 link

  45. Kieltyka R., Fakhoury J., Moitessier N., Sleiman H.F. Platinum phenanthroimidazole complexes as G-quadruplex DNA selective binders "Chemistry - A European Journal" (2008), 14, 4, 1145-1154 link

  46. Hamm S., Just G., Lacoste N., Moitessier N., Szyf M., Mamer O. On the mechanism of demethylation of 5-methylcytosine in DNA "Bioorganic and Medicinal Chemistry Letters" (2008), 18, 3, 1046-1049 link

  47. Englebienne P., Fiaux H., Kuntz D.A., Corbeil C.R., Gerber-Lemaire S., Rose D.R., Moitessier N. Evaluation of docking programs for predicting binding of Golgi α-mannosidase II inhibitors: A comparison with crystallography "Proteins: Structure (2007), Function and Genetics", 69, -160 link

  48. 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, 2, 435-449 link

  49. Moitessier N., Therrien E., Hanessian S. A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic β-secretase (BACE 1) inhibitors "Journal of Medicinal Chemistry" (2006), 49, 20, 5885-5894 link

  50. Compain P., Desvergnes V., Ollivier C., Robert F., Suzenet F., Barboiu M., Belmont P., Bleriot Y., Bolze F., Bouquillon S., Bourguet E., Braida B., Constantieux T., Desaubry L., Dupont D., Gastaldi S., Jerome F., Legoupy S., Marat X., Migaud M., Moitessier N., Papot S., Peri F., Petit M., Py S., Schulz E., Tranoy-Opalinski I., Vauzeilles B., Vayron P., Vergnes L., Vidal S., Wilmouth S. Looking forward: A glance into the future of organic chemistry "New Journal of Chemistry" (2006), 30, 6, 823-831 link

  51. Moitessier N., Westhof E., Hanessian S. Docking of aminoglycosides to hydrated and flexible RNA "Journal of Medicinal Chemistry" (2006), 49, 3, 1023-1033 link

  52. Compain P., Desvergnes V., Ollivier C., Robert F., Suzenet F., Barboiu M., Belmont P., Bleriot Y., Bolze F., Bouquillon S., Bourguet E., Braida B., Constantieux T., Desaubry L., Dupont D., Gastaldi S., Jerome F., Legoupy S., Marat X., Migaud M., Moitessier N., Papot S., Peri F., Petit M., Py S., Schulz E., Tranoy-Opalinski I., Vauzeilles B., Vayron P., Vergnes L., Vidal S., Wilmouth S. Future achemy: Account of the ESYOP experiment [Alchimies futures: Compte rendu de l'expérience ESYOP] "Comptes Rendus Chimie" (2006), 9, 1 SPEC. ISS., 127-140 link

  53. Moitessier N., Henry C., Aubert N., Chapleur Y. Orthogonally protected carbohydrate-based scaffolds "Tetrahedron Letters" (2005), 46, 37, 6191-6194 link

  54. Hanessian S., Yun H., Hou Y., Yang G., Bayrakdarian M., Therrien E., Moitessier N., Roggo S., Veenstra S., Tintelnot-Blomley M., Rondeau J.-M., Ostermeier C., Strauss A., Ramage P., Paganetti P., Neumann U., Betschart C. Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics "Journal of Medicinal Chemistry" (2005), 48, 16, 5175-5190 link

  55. Moitessier N., Englebienne P., Chapleur Y. Directing-protecting groups for carbohydrates. Design, conformational study, synthesis and application to regioselective functionalization "Tetrahedron" (2005), 61, 28, 6839-6853 link

  56. Hanessian S., Moitessier N. Sulfonamide-based acyclic and conformationally constrained MMP inhibitors: From computer-assisted design to nanomolar compounds "Current Topics in Medicinal Chemistry" (2004), 4, 12, 1269-1287 link

  57. Moitessier N., Henry C., Maigret B., Chapleur Y. 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 α vβ3 binding site "Journal of Medicinal Chemistry" (2004), 47, 17, 4178-4187 link

  58. Moitessier N., Henry C., Len C., Postel D., Chapleur Y. On the origin of the facial selectivity of the Sharpless asymmetric dihydroxylation of styrene derivatives "Journal of Carbohydrate Chemistry" (2003), 22, 1, 25-34 link

  59. Moitessier N., Chapleur Y. Modulation of the relative reactivities of carbohydrate secondary hydroxyl groups. Modification of the hydrogen bond network "Tetrahedron Letters" (2003), 44, 9, 1731-1735 link

  60. Henry C., Moitessier N., Chapleur Y. Vitronectin receptor alpha(V)beta(3) integrin antagonists: chemical and structural requirements for activity and selectivity. "Mini reviews in medicinal chemistry" (2002), 2, 6, 531-542 link

  61. Moitessier N., Henry C., Len C., Chapleur Y. Toward a computational tool predicting the stereochemical outcome of asymmetric reactions. 1. Application to sharpless asymmetric dihydroxylation "Journal of Organic Chemistry" (2002), 67, 21, 7275-7282 link

  62. Pilard S., Riboul D., Glacon V., Moitessier N., Chapleur Y., Postel D., Len C. Asymmetric dihydroxylation of chiral styrene derivatives: Development of an analytical strategy for the determination of the diastereomeric excess "Tetrahedron Asymmetry" (2002), 13, 5, 529-537 link

  63. Roussel F., Moitessier N., Hilly M., Chretien F., Mauger J.-P., Chapleur Y. D-myo-Inositol-1,4,5-trisphosphate and adenophostin mimics: Importance of the spatial orientation of a phosphate group on the biological activity "Bioorganic and Medicinal Chemistry" (2002), 10, 3, 759-768 link

  64. Hanessian S., Moitessier N., Therrien E. A comparative docking study and the design of potentially selective MMP inhibitors "Journal of Computer-Aided Molecular Design" (2001), 15, 10, 873-881 link

  65. Hanessian S., MacKay D.B., Moitessier N. Design and synthesis of matrix metalloproteinase inhibitors guided by molecular modeling. Picking the S-1 pocket using conformationally constrained inhibitors "Journal of Medicinal Chemistry" (2001), 44, 19, 3074-3082 link

  66. Hanessian S., Moitessier N., Gauchet C., Viau M. N-aryl sulfonyl homocysteine hydroxamate inhibitors of matrix metalloproteinases: Further probing of the S-1, S-1′, and S-2′ pockets "Journal of Medicinal Chemistry" (2001), 44, 19, 3066-3073 link

  67. Hanessian S., Moitessier N., Cantin L.-D. Design and synthesis of MMP inhibitors using N-arylsulfonylaziridine hydroxamic acids as constrained scaffolds "Tetrahedron" (2001), 57, 32, 6885-6900 link

  68. Hanessian S., Tremblay M., Kornienko A., Moitessier N. Design, modeling and synthesis of functionalized paromamine analogs "Tetrahedron" (2001), 57, 16, 3255-3265 link

  69. Moitessier N., Dufour S., Chretien F., Thiery J.P., Maigret B., Chapleur Y. Design, synthesis and preliminary biological evaluation of a focused combinatorial library of stereodiverse carbohydrate-scaffold-based peptidomimetics "Bioorganic and Medicinal Chemistry" (2001), 9, 2, 511-523 link

  70. Hanessian S., Moitessier N., Wilmouth S. Tetrahydrofuran as a scaffold for peptidomimetics. Application to the design and synthesis of conformationally constrained metalloproteinase inhibitors "Tetrahedron" (2000), 56, 39, 7643-7660 link

  71. Chretien F., Moitessier N., Roussel F., Mauger J.-P., Chapleur Y. Carbohydrate-based mimics of D-myo-inositol 1,4,5-trisphosphate "Current Organic Chemistry" (2000), 4, 5, 513-534 link

  72. Moitessier N., Maigret B., Chretien F., Chapleur Y. Molecular dynamics-based models explain the unexpected diastereoselectivity of the sharpless asymmetric dihydroxylation of allyl D- xylosides "European Journal of Organic Chemistry" (2000), , 6, 995-1005 link

  73. Minoux H., Moitessier N., Chapleur Y., Maigret B. Elucidation of a common structure of selective fibrinogen receptor antagonists "Journal of Computer-Aided Molecular Design" (1998), 12, 6, 533-542 link

  74. Moitessier N., Minoux H., Maigret B., Chretien F., Chapleur Y. Synthesis of carbohydrate-based peptidomimetics as potential selective fibrinogen receptor antagonists "Letters in Peptide Science" (1998), 5, 2-3, 75-78 link

  75. Minoux H., Moitessier N., Chapleur Y., Maigret B. Design of specific antagonists of the fibrinogen receptor "International Journal of Peptide Research and Therapeutics" (1997), 4, 4-6, 463-466 link

  76. Moitessier N., Chretien F., Chapleur Y. Asymmetric dihydroxylation of D-xylose-derived allyl ethers "Tetrahedron Asymmetry" (1997), 8, 17, 2889-2892 link

  77. Moitessier N., Chretien F., Chaplcur Y., Humeau C. Synthesis and biological activities of inositol 1,4,5-trisphosphate mimics related to xylopyranosides "Tetrahedron Letters" (1995), 36, 44, 8023-8026 link