Theret I - Search Results

1

Why Are We Still Cloning Melatonin Receptors? A Commentary.

Gautier C, Theret I, Lizzo G, Ferry G, Guénin SP, Boutin JA. Gautier C, et al. Among authors: theret i. Methods Mol Biol. 2022;2550:267-281. doi: 10.1007/978-1-0716-2593-4_29. Methods Mol Biol. 2022. PMID: 36180698

2

Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.

Mollica L, Theret I, Antoine M, Perron-Sierra F, Charton Y, Fourquez JM, Wierzbicki M, Boutin JA, Ferry G, Decherchi S, Bottegoni G, Ducrot P, Cavalli A. Mollica L, et al. Among authors: theret i. J Med Chem. 2016 Aug 11;59(15):7167-76. doi: 10.1021/acs.jmedchem.6b00632. Epub 2016 Jul 22. J Med Chem. 2016. PMID: 27391254

3

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.

Westermaier Y, Ruiz-Carmona S, Theret I, Perron-Sierra F, Poissonnet G, Dacquet C, Boutin JA, Ducrot P, Barril X. Westermaier Y, et al. Among authors: theret i. J Comput Aided Mol Des. 2017 Aug;31(8):755-775. doi: 10.1007/s10822-017-0040-7. Epub 2017 Jul 15. J Comput Aided Mol Des. 2017. PMID: 28712038

4

Dynamics of hERG closure allow novel insights into hERG blocking by small molecules.

Schmidtke P, Ciantar M, Theret I, Ducrot P. Schmidtke P, et al. Among authors: theret i. J Chem Inf Model. 2014 Aug 25;54(8):2320-33. doi: 10.1021/ci5001373. Epub 2014 Jul 18. J Chem Inf Model. 2014. PMID: 25000969

5

Structure-Activity Relationship of Azaindole-Based Glucokinase Activators.

Paczal A, Bálint B, Wéber C, Szabó ZB, Ondi L, Theret I, De Ceuninck F, Bernard C, Ktorza A, Perron-Sierra F, Kotschy A. Paczal A, et al. Among authors: theret i. J Med Chem. 2016 Jan 28;59(2):687-706. doi: 10.1021/acs.jmedchem.5b01594. Epub 2016 Jan 15. J Med Chem. 2016. PMID: 26685731

6

2P2I HUNTER: a tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine.

Hamon V, Bourgeas R, Ducrot P, Theret I, Xuereb L, Basse MJ, Brunel JM, Combes S, Morelli X, Roche P. Hamon V, et al. Among authors: theret i. J R Soc Interface. 2013 Nov 6;11(90):20130860. doi: 10.1098/rsif.2013.0860. Print 2014 Jan 6. J R Soc Interface. 2013. PMID: 24196694 Free PMC article.

7

FastGrow: on-the-fly growing and its application to DYRK1A.

Penner P, Martiny V, Bellmann L, Flachsenberg F, Gastreich M, Theret I, Meyer C, Rarey M. Penner P, et al. Among authors: theret i. J Comput Aided Mol Des. 2022 Sep;36(9):639-651. doi: 10.1007/s10822-022-00469-y. Epub 2022 Aug 22. J Comput Aided Mol Des. 2022. PMID: 35989379 Free PMC article.

8

Applications of NMR screening techniques to the pharmaceutical target Checkpoint kinase 1.

Lancelot N, Piotto M, Theret I, Lesur B, Hennig P. Lancelot N, et al. Among authors: theret i. J Pharm Biomed Anal. 2014 May;93:125-35. doi: 10.1016/j.jpba.2013.10.032. Epub 2013 Nov 5. J Pharm Biomed Anal. 2014. PMID: 24280017

9

Solution structure and backbone dynamics of the defunct domain of calcium vector protein.

Théret I, Baladi S, Cox JA, Gallay J, Sakamoto H, Craescu CT. Théret I, et al. Biochemistry. 2001 Nov 20;40(46):13888-97. Biochemistry. 2001. PMID: 11705378

10

Sequential calcium binding to the regulatory domain of calcium vector protein reveals functional asymmetry and a novel mode of structural rearrangement.

Théret I, Baladi S, Cox JA, Sakamoto H, Craescu CT. Théret I, et al. Biochemistry. 2000 Jul 11;39(27):7920-6. doi: 10.1021/bi000360z. Biochemistry. 2000. PMID: 10891072

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