Michel J - Search Results

1

Prediction of the water content in protein binding sites.

Michel J, Tirado-Rives J, Jorgensen WL. Michel J, et al. J Phys Chem B. 2009 Oct 8;113(40):13337-46. doi: 10.1021/jp9047456. J Phys Chem B. 2009. PMID: 19754086 Free PMC article.

2

Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?

Michel J, Verdonk ML, Essex JW. Michel J, et al. J Med Chem. 2006 Dec 14;49(25):7427-39. doi: 10.1021/jm061021s. J Med Chem. 2006. PMID: 17149872

3

Hit identification and binding mode predictions by rigorous free energy simulations.

Michel J, Essex JW. Michel J, et al. J Med Chem. 2008 Nov 13;51(21):6654-64. doi: 10.1021/jm800524s. Epub 2008 Oct 4. J Med Chem. 2008. PMID: 18834104 Free article.

4

In Silico Improvement of beta3-peptide inhibitors of p53 x hDM2 and p53 x hDMX.

Michel J, Harker EA, Tirado-Rives J, Jorgensen WL, Schepartz A. Michel J, et al. J Am Chem Soc. 2009 May 13;131(18):6356-7. doi: 10.1021/ja901478e. J Am Chem Soc. 2009. PMID: 19415930 Free PMC article.

5

Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization.

Michel J, Tirado-Rives J, Jorgensen WL. Michel J, et al. J Am Chem Soc. 2009 Oct 28;131(42):15403-11. doi: 10.1021/ja906058w. J Am Chem Soc. 2009. PMID: 19778066 Free PMC article.

6

Chemical control over immune recognition: a class of antibody-recruiting small molecules that target prostate cancer.

Murelli RP, Zhang AX, Michel J, Jorgensen WL, Spiegel DA. Murelli RP, et al. Among authors: michel j. J Am Chem Soc. 2009 Dec 2;131(47):17090-2. doi: 10.1021/ja906844e. J Am Chem Soc. 2009. PMID: 19888723 Free PMC article.

7

A remote arene-binding site on prostate specific membrane antigen revealed by antibody-recruiting small molecules.

Zhang AX, Murelli RP, Barinka C, Michel J, Cocleaza A, Jorgensen WL, Lubkowski J, Spiegel DA. Zhang AX, et al. Among authors: michel j. J Am Chem Soc. 2010 Sep 15;132(36):12711-6. doi: 10.1021/ja104591m. J Am Chem Soc. 2010. PMID: 20726553 Free PMC article.

8

Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors.

Luccarelli J, Michel J, Tirado-Rives J, Jorgensen WL. Luccarelli J, et al. Among authors: michel j. J Chem Theory Comput. 2010 Jan 1;6(12):3850-3856. doi: 10.1021/ct100504h. J Chem Theory Comput. 2010. PMID: 21278915 Free PMC article.

9

A simple QM/MM approach for capturing polarization effects in protein-ligand binding free energy calculations.

Beierlein FR, Michel J, Essex JW. Beierlein FR, et al. Among authors: michel j. J Phys Chem B. 2011 May 5;115(17):4911-26. doi: 10.1021/jp109054j. Epub 2011 Apr 8. J Phys Chem B. 2011. PMID: 21476567

10

Targeting the von Hippel-Lindau E3 ubiquitin ligase using small molecules to disrupt the VHL/HIF-1α interaction.

Buckley DL, Van Molle I, Gareiss PC, Tae HS, Michel J, Noblin DJ, Jorgensen WL, Ciulli A, Crews CM. Buckley DL, et al. Among authors: michel j. J Am Chem Soc. 2012 Mar 14;134(10):4465-8. doi: 10.1021/ja209924v. Epub 2012 Feb 27. J Am Chem Soc. 2012. PMID: 22369643 Free PMC article.

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