Dehez F - Search Results

1

Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations.

Gattuso H, Dumont E, Chipot C, Monari A, Dehez F. Gattuso H, et al. Among authors: dehez f. Phys Chem Chem Phys. 2016 Dec 7;18(48):33180-33186. doi: 10.1039/c6cp06078a. Phys Chem Chem Phys. 2016. PMID: 27892573

2

OPEP: a tool for the optimal partitioning of electric properties.

Angyán JG, Chipot C, Dehez F, Hättig C, Jansen G, Millot C. Angyán JG, et al. Among authors: dehez f. J Comput Chem. 2003 Jun;24(8):997-1008. doi: 10.1002/jcc.10236. J Comput Chem. 2003. PMID: 12720321

3

Energetics of ion transport in a peptide nanotube.

Dehez F, Tarek M, Chipot C. Dehez F, et al. J Phys Chem B. 2007 Sep 13;111(36):10633-5. doi: 10.1021/jp075308s. Epub 2007 Aug 18. J Phys Chem B. 2007. PMID: 17705530

4

Binding of ADP in the mitochondrial ADP/ATP carrier is driven by an electrostatic funnel.

Dehez F, Pebay-Peyroula E, Chipot C. Dehez F, et al. J Am Chem Soc. 2008 Sep 24;130(38):12725-33. doi: 10.1021/ja8033087. Epub 2008 Aug 26. J Am Chem Soc. 2008. PMID: 18729359

5

High-chloride concentrations abolish the binding of adenine nucleotides in the mitochondrial ADP/ATP carrier family.

Krammer EM, Ravaud S, Dehez F, Frelet-Barrand A, Pebay-Peyroula E, Chipot C. Krammer EM, et al. Among authors: dehez f. Biophys J. 2009 Nov 18;97(10):L25-7. doi: 10.1016/j.bpj.2009.08.047. Biophys J. 2009. PMID: 19917217 Free PMC article.

6

Solubilities inferred from the combination of experiment and simulation. Case study of quercetin in a variety of solvents.

Chebil L, Chipot C, Archambault F, Humeau C, Engasser JM, Ghoul M, Dehez F. Chebil L, et al. Among authors: dehez f. J Phys Chem B. 2010 Sep 30;114(38):12308-13. doi: 10.1021/jp104569k. J Phys Chem B. 2010. PMID: 20715800

7

Polarizable intermolecular potentials for water and benzene interacting with halide and metal ions.

Archambault F, Chipot C, Soteras I, Luque FJ, Schulten K, Dehez F. Archambault F, et al. Among authors: dehez f. J Chem Theory Comput. 2009 Jan 1;5(11):3022-3031. doi: 10.1021/ct9004189. J Chem Theory Comput. 2009. PMID: 21113276 Free PMC article.

8

Dangerous liaisons between detergents and membrane proteins. The case of mitochondrial uncoupling protein 2.

Zoonens M, Comer J, Masscheleyn S, Pebay-Peyroula E, Chipot C, Miroux B, Dehez F. Zoonens M, et al. Among authors: dehez f. J Am Chem Soc. 2013 Oct 9;135(40):15174-82. doi: 10.1021/ja407424v. Epub 2013 Sep 26. J Am Chem Soc. 2013. PMID: 24021091

9

A Toolkit for the Analysis of Free-Energy Perturbation Calculations.

Liu P, Dehez F, Cai W, Chipot C. Liu P, et al. Among authors: dehez f. J Chem Theory Comput. 2012 Aug 14;8(8):2606-16. doi: 10.1021/ct300242f. Epub 2012 Jul 31. J Chem Theory Comput. 2012. PMID: 26592106

10

Derivation of Distributed Models of Atomic Polarizability for Molecular Simulations.

Soteras I, Curutchet C, Bidon-Chanal A, Dehez F, Ángyán JG, Orozco M, Chipot C, Luque FJ. Soteras I, et al. Among authors: dehez f. J Chem Theory Comput. 2007 Nov;3(6):1901-13. doi: 10.1021/ct7001122. J Chem Theory Comput. 2007. PMID: 26636193

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