Delcroix P - Search Results

1

A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization.

Duboué-Dijon E, Javanainen M, Delcroix P, Jungwirth P, Martinez-Seara H. Duboué-Dijon E, et al. Among authors: delcroix p. J Chem Phys. 2020 Aug 7;153(5):050901. doi: 10.1063/5.0017775. J Chem Phys. 2020. PMID: 32770904 Review.

2

Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations.

Duboué-Dijon E, Delcroix P, Martinez-Seara H, Hladílková J, Coufal P, Křížek T, Jungwirth P. Duboué-Dijon E, et al. Among authors: delcroix p. J Phys Chem B. 2018 May 31;122(21):5640-5648. doi: 10.1021/acs.jpcb.7b12097. Epub 2018 Feb 10. J Phys Chem B. 2018. PMID: 29360367

3

Structural Effects of Cation Binding to DPPC Monolayers.

Javanainen M, Hua W, Tichacek O, Delcroix P, Cwiklik L, Allen HC. Javanainen M, et al. Among authors: delcroix p. Langmuir. 2020 Dec 22;36(50):15258-15269. doi: 10.1021/acs.langmuir.0c02555. Epub 2020 Dec 9. Langmuir. 2020. PMID: 33296215

4

Properties of Lipid Models of Lung Surfactant Containing Cholesterol and Oxidized Lipids: A Mixed Experimental and Computational Study.

Olżyńska A, Delcroix P, Dolejšová T, Krzaczek K, Korchowiec B, Czogalla A, Cwiklik L. Olżyńska A, et al. Among authors: delcroix p. Langmuir. 2020 Feb 4;36(4):1023-1033. doi: 10.1021/acs.langmuir.9b02469. Epub 2020 Jan 27. Langmuir. 2020. PMID: 31902205

5

The Partitioning of Small Aromatic Molecules to Air-Water and Phospholipid Interfaces Mediated by Non-Hydrophobic Interactions.

Perkins RJ, Kukharchuk A, Delcroix P, Shoemaker RK, Roeselová M, Cwiklik L, Vaida V. Perkins RJ, et al. Among authors: delcroix p. J Phys Chem B. 2016 Aug 4;120(30):7408-22. doi: 10.1021/acs.jpcb.6b05084. Epub 2016 Jul 26. J Phys Chem B. 2016. PMID: 27399964 Free article.

6

Structural and spectroscopic properties of methanediol in aqueous solutions from quantum chemistry calculations and ab initio molecular dynamics simulations.

Delcroix P, Pagliai M, Cardini G, Bégué D, Hanoune B. Delcroix P, et al. J Phys Chem A. 2015 Jan 15;119(2):290-8. doi: 10.1021/jp510759r. Epub 2015 Jan 6. J Phys Chem A. 2015. PMID: 25531692

7

Identification of Di(oxymethylene)glycol in the Raman Spectrum of Formaldehyde Aqueous Solutions by ab Initio Molecular Dynamics Simulations and Quantum Chemistry Calculations.

Delcroix P, Pagliai M, Cardini G, Bégué D, Hanoune B. Delcroix P, et al. J Phys Chem A. 2015 Sep 24;119(38):9785-93. doi: 10.1021/acs.jpca.5b06293. J Phys Chem A. 2015. PMID: 26352865

8

The most likely time and place of introduction of BTV8 into Belgian ruminants.

Saegerman C, Mellor P, Uyttenhoef A, Hanon JB, Kirschvink N, Haubruge E, Delcroix P, Houtain JY, Pourquier P, Vandenbussche F, Verheyden B, De Clercq K, Czaplicki G. Saegerman C, et al. Among authors: delcroix p. PLoS One. 2010 Feb 24;5(2):e9405. doi: 10.1371/journal.pone.0009405. PLoS One. 2010. PMID: 20195379 Free PMC article.

9

Mössbauer investigation of intermixing during ball milling of Fe0.3Cr0.7 and Fe0.5W0.5 powder mixtures.

Le Caër G, Delcroix P, Shen TD, Malaman B. Le Caër G, et al. Among authors: delcroix p. Phys Rev B Condens Matter. 1996 Nov 1;54(18):12775-12786. doi: 10.1103/physrevb.54.12775. Phys Rev B Condens Matter. 1996. PMID: 9985133 No abstract available.

10

[Surface properties of resins used for removable dentures].

Delcroix P. Delcroix P. Cah Prothese. 1991 Sep;(75):71-6. Cah Prothese. 1991. PMID: 1933558 French.

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