12 Einträge gefunden

1. Thermodynamic and transport properties modeling of deep eutectic solvents: a review on gE-models, equations of state, and molecular dynamics

   1. González de Castilla, Andrés
   2. Bittner, Jan Philipp
   3. Müller, Simon
   4. Jakobtorweihen, Sven
   5. Smirnova, Irina

   2020 - TUHH Open Research
2. Micellization and partition equilibria in mixed nonionic/Ionic micellar systems: predictions with molecular models

   1. Yordanova, Denitsa
   2. Ritter, Eric
   3. Smirnova, Irina
   4. Jakobtorweihen, Sven

   2017 - TUHH Open Research
3. Solute partitioning in micelles: combining molecular dynamics simulations, COSMOmic, and experiments

   1. Yordanova, Denitsa
   2. Ritter, Eric
   3. Gerlach, Thomas
   4. Jensen, Jan-Hendrik
   5. Smirnova, Irina
   6. Jakobtorweihen, Sven

   2017 - TUHH Open Research
4. Influence of D-glucose as additive on thermodynamics and physical properties of aqueous surfactant two-phase systems for the continuous micellar extraction

   1. Ritter, Eric
   2. Racheva, Ralena Rumenova
   3. Jakobtorweihen, Sven
   4. Smirnova, Irina

   2017 - TUHH Open Research
5. Predicting critical micelle concentrations with molecular dynamics simulations and COSMOmic

   1. Jakobtorweihen, Sven
   2. Yordanova, Denitsa
   3. Smirnova, Irina

   2017 - TUHH Open Research
6. Molecular dynamics simulations of various micelles to predict micelle water partition equilibria with COSMOmic: Influence of micelle size and structure

   1. Ritter, Eric
   2. Yordanova, Denitsa
   3. Gerlach, Thomas
   4. Smirnova, Irina
   5. Jakobtorweihen, Sven

   2016 - TUHH Open Research
7. Molecular modeling of triton X micelles: force field parameters, self-assembly, and partition equilibria

   1. Yordanova, Denitsa
   2. Smirnova, Irina
   3. Jakobtorweihen, Sven

   2015 - TUHH Open Research
8. Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

   1. Jakobtorweihen, Sven
   2. Zuniga, A. Chaides
   3. Ingram, Thomas
   4. Gerlach, Thomas
   5. Keil, Frerich
   6. Smirnova, Irina

   2014 - TUHH Open Research
9. Solubilization in mixed micelles studied by molecular dynamics simulations and COSMOmic

   1. Storm, Sandra
   2. Jakobtorweihen, Sven
   3. Smirnova, Irina

   2014 - TUHH Open Research
10. Combination of COSMOmic and molecular dynamics simulations for the calculation of membrane-water partition coefficients

    1. Jakobtorweihen, Sven
    2. Ingram, Thomas
    3. Smirnova, Irina

    2013 - TUHH Open Research
11. Prediction of micelle/water and liposome/water partition coefficients based on molecular dynamics simulations, COSMO-RS, and COSMOmic

    1. Ingram, Thomas
    2. Storm, Sandra
    3. Kloss, Linda
    4. Mehling, Tanja
    5. Jakobtorweihen, Sven
    6. Smirnova, Irina

    2013 - TUHH Open Research
12. Molecular dynamics simulation of SDS and CTAB micellization and prediction of partition equilibria with COSMOmic

    1. Storm, Sandra
    2. Jakobtorweihen, Sven
    3. Smirnova, Irina
    4. Panagiotopoulos, Athanassios Z.

    2013 - TUHH Open Research