Weill N - Search Results

1

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.

Weill N, Corbeil CR, De Schutter JW, Moitessier N. Weill N, et al. J Comput Chem. 2011 Oct;32(13):2878-89. doi: 10.1002/jcc.21869. Epub 2011 Jul 6. J Comput Chem. 2011. PMID: 21735450

2

Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.

Therrien E, Englebienne P, Arrowsmith AG, Mendoza-Sanchez R, Corbeil CR, Weill N, Campagna-Slater V, Moitessier N. Therrien E, et al. Among authors: weill n. J Chem Inf Model. 2012 Jan 23;52(1):210-24. doi: 10.1021/ci2004779. Epub 2011 Dec 15. J Chem Inf Model. 2012. PMID: 22133077

3

Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy.

Therrien E, Weill N, Tomberg A, Corbeil CR, Lee D, Moitessier N. Therrien E, et al. Among authors: weill n. J Chem Inf Model. 2014 Nov 24;54(11):3198-210. doi: 10.1021/ci500299h. Epub 2014 Oct 27. J Chem Inf Model. 2014. PMID: 25280064

4

Methods for docking small molecules to macromolecules: a user's perspective. 2. Applications.

Campagna-Slater V, Therrien E, Weill N, Moitessier N. Campagna-Slater V, et al. Among authors: weill n. Curr Pharm Des. 2014;20(20):3360-72. doi: 10.2174/13816128113199990606. Curr Pharm Des. 2014. PMID: 23947644 Review.

5

Methods for docking small molecules to macromolecules: a user's perspective. 1. The theory.

Weill N, Therrien E, Campagna-Slater V, Moitessier N. Weill N, et al. Curr Pharm Des. 2014;20(20):3338-59. doi: 10.2174/13816128113199990605. Curr Pharm Des. 2014. PMID: 23947645 Review.

6

Platinum(II) phenanthroimidazoles for targeting telomeric G-quadruplexes.

Castor KJ, Mancini J, Fakhoury J, Weill N, Kieltyka R, Englebienne P, Avakyan N, Mittermaier A, Autexier C, Moitessier N, Sleiman HF. Castor KJ, et al. Among authors: weill n. ChemMedChem. 2012 Jan 2;7(1):85-94. doi: 10.1002/cmdc.201100453. Epub 2011 Nov 3. ChemMedChem. 2012. PMID: 22052801

7

Chemogenomic approaches for the exploration of GPCR space.

Weill N. Weill N. Curr Top Med Chem. 2011;11(15):1944-55. doi: 10.2174/156802611796391212. Curr Top Med Chem. 2011. PMID: 21470168 Review.

8

Alignment-free ultra-high-throughput comparison of druggable protein-ligand binding sites.

Weill N, Rognan D. Weill N, et al. J Chem Inf Model. 2010 Jan;50(1):123-35. doi: 10.1021/ci900349y. J Chem Inf Model. 2010. PMID: 20058856

9

Development and validation of a novel protein-ligand fingerprint to mine chemogenomic space: application to G protein-coupled receptors and their ligands.

Weill N, Rognan D. Weill N, et al. J Chem Inf Model. 2009 Apr;49(4):1049-62. doi: 10.1021/ci800447g. J Chem Inf Model. 2009. PMID: 19301874

10

Identification of Nonpeptide Oxytocin Receptor Ligands by Receptor-Ligand Fingerprint Similarity Search.

Weill N, Valencia C, Gioria S, Villa P, Hibert M, Rognan D. Weill N, et al. Mol Inform. 2011 Jun;30(6-7):521-6. doi: 10.1002/minf.201100026. Epub 2011 Jul 12. Mol Inform. 2011. PMID: 27467153 No abstract available.

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