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Design of potent and selective GSK3β inhibitors with acceptable safety profile and pharmacokinetics

Autor: Lesuisse, Dominique, Tiraboschi, Gilles, Krick, Alain, Abecassis, Pierre-Yves, Dutruc-Rosset, Gilles, Babin, Didier, Halley, Frank, Châtreau, Fabienne, Lachaud, Sylvette, Chevalier, Alain, Quarteronet, Dominique, Burgevin, Marie-Claude, Amara, Céline, Bertrand, Philippe, Rooney, Thomas

Publikováno v: In Bioorganic & Medicinal Chemistry Letters 2010 20(7):2344-2349

Exploration of the S'1 subsite of neprilysin: a joined molecular modeling and site-directed mutagenesis study

Autor: Marie-Claire, Cynthia, Tiraboschi, Gilles, Ruffet, Emmanuel, Inguimbert, Nicolas, Fournie-Zaluski, Marie-Claude, Roques, Bernard

Publikováno v: Proteins-Structure, Function and Bioinformatics
Proteins-Structure, Function and Bioinformatics, 2000, 39 (4), pp.365-71
Proteins-Structure, Function and Bioinformatics, Wiley, 2000, 39 (4), pp.365-71

International audience; Based on the recently described three-dimensional model of the 507-749 region of neprilysin, which contains the catalytic site of the enzyme, experiments were performed to improve the proposed topology of its large and hydroph

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::16ecded2b5e7fbb20ec2b48a25179aaf
https://www.hal.inserm.fr/inserm-00171018

Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands.

Autor: Tiraboschi, Gilles, Gresh, Nohad, Giessner-Prettre, Claude, Pedersen, Lee G., Deerfield, David W.

Publikováno v: Journal of Computational Chemistry; Sep2000, Vol. 21 Issue 12, p1011-1039, 29p

Conformational properties of a model alanyl dipeptide and of alanine-derived oligopeptides: Effects of solvation in water and in organic solvents-A combined SIBFA/continuum reaction field, ab initio self-consistent field, and density functional theory investigation

Autor: Gresh, Nohad, Tiraboschi, Gilles, Salahub, Dennis R.

Publikováno v: Biopolymers; May1998, Vol. 45 Issue 6, p405-425, 21p