Towards Realistic Models of Lung Surfactant - MD Simulations with Improved Water and Ion Force Fields
Delcroix, Pauline, Olzynska, Agnieszka, Cwiklik, Lukasz
Published in Biophysical journal (02.02.2018)
Published in Biophysical journal (02.02.2018)
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Journal Article
Structural Effects of Cation Binding to DPPC Monolayers
Javanainen, Matti, Hua, Wei, Tichacek, Ondrej, Delcroix, Pauline, Cwiklik, Lukasz, Allen, Heather C
Published in Langmuir (22.12.2020)
Published in Langmuir (22.12.2020)
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Journal Article
Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations
Duboué-Dijon, Elise, Delcroix, Pauline, Martinez-Seara, Hector, Hladílková, Jana, Coufal, Pavel, Křížek, Tomáš, Jungwirth, Pavel
Published in The journal of physical chemistry. B (31.05.2018)
Published in The journal of physical chemistry. B (31.05.2018)
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Journal Article
Properties of Lipid Models of Lung Surfactant Containing Cholesterol and Oxidized Lipids: A Mixed Experimental and Computational Study
Olżyńska, Agnieszka, Delcroix, Pauline, Dolejšová, Tereza, Krzaczek, Karolina, Korchowiec, Beata, Czogalla, Aleksander, Cwiklik, Lukasz
Published in Langmuir (04.02.2020)
Published in Langmuir (04.02.2020)
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Journal Article
Benefits of the Electronic Continuum Correction in Bio-Force Fields
Nencini, Ricky, Palivec, Vladimir, Tempra, Carmelo, Delcroix, Pauline, Ollila, Samuli O., Javanainen, Matti, Jungwirth, Pavel, Martinez-Seara, Hector
Published in Biophysical journal (07.02.2020)
Published in Biophysical journal (07.02.2020)
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Journal Article
The Partitioning of Small Aromatic Molecules to Air–Water and Phospholipid Interfaces Mediated by Non-Hydrophobic Interactions
Perkins, Russell J., Kukharchuk, Alexandra, Delcroix, Pauline, Shoemaker, Richard K., Roeselová, Martina, Cwiklik, Lukasz, Vaida, Veronica
Published in The journal of physical chemistry. B (04.08.2016)
Published in The journal of physical chemistry. B (04.08.2016)
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Journal Article
Structural and Spectroscopic Properties of Methanediol in Aqueous Solutions from Quantum Chemistry Calculations and Ab Initio Molecular Dynamics Simulations
Delcroix, Pauline, Pagliai, Marco, Cardini, Gianni, Bégué, Didier, Hanoune, Benjamin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.01.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.01.2015)
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Journal Article
Identification of Di(oxymethylene)glycol in the Raman Spectrum of Formaldehyde Aqueous Solutions by ab Initio Molecular Dynamics Simulations and Quantum Chemistry Calculations
Delcroix, Pauline, Pagliai, Marco, Cardini, Gianni, Bégué, Didier, Hanoune, Benjamin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.09.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.09.2015)
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Journal Article