41 Einträge gefunden

1. Resolving gradients in an ammonia oxidation reactor under industrial conditions: A combined experimental and simulation study

   1. Pottbacker, Jan
   2. Jakobtorweihen, Sven
   3. Behnecke, Anna-Sophia
   4. Abdullah, Adnan
   5. Özdemir, Melis
   6. Warner, Maximilian
   7. Menon, Mohan

   2022 - TUHH Open Research
2. Unraveling Alcohol Dehydrogenase Catalysis in Organic-Aqueous Biphasic Systems Combining Experiments and Molecular Dynamics Simulations

   1. Zhang, Ningning
   2. Bittner, Jan Philipp
   3. Fiedler, Marius
   4. Beretta, Thomas
   5. De María, Pablo Domínguez
   6. Jakobtorweihen, Sven
   7. Kara, Selin

   2022 - TUHH Open Research
3. Impact of deep eutectic solvents (DESs) and individual des components on alcohol dehydrogenase catalysis: connecting experimental data and molecular dynamics simulations

   1. Bittner, Jan Philipp
   2. Zhang, Ningning
   3. Huang, Lei
   4. Domínguez de María, Pablo
   5. Jakobtorweihen, Sven
   6. Kara, Selin

   2022 - TUHH Open Research - frei zugänglich
4. Interface-Mediated Mechanism of Action - The Root of the Cytoprotective Effect of Immediate-Release Omeprazole

   1. Lopes-de-Campos, Daniela
   2. Pereira-Leite, Catarina
   3. Fontaine, Philippe
   4. Coutinho, Ana
   5. Prieto, Manuel
   6. Sarmento, Bruno
   7. Jakobtorweihen, Sven

   2021 - TUHH Open Research
5. Comparison and Validation of Force Fields for Deep Eutectic Solvents in Combination with Water and Alcohol Dehydrogenase

   1. Bittner, Jan Philipp
   2. Huang, Lei
   3. Zhang, Ningning
   4. Kara, Selin
   5. Jakobtorweihen, Sven

   2021 - TUHH Open Research
6. Curricular network analysis

   1. Riedel, Uta
   2. Jakobtorweihen, Sven
   3. Bornhöft, Sara

   2020 - TUHH Open Research
7. 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
8. A novel approach to calculate protein adsorption isotherms by molecular dynamics simulations

   1. Jakobtorweihen, Sven
   2. Heuer, Jonas
   3. Waluga, Thomas

   2020 - TUHH Open Research
9. Modeling alcohol dehydrogenase catalysis in deep eutectic solvent/water mixtures

   1. Huang, Lei
   2. Bittner, Jan Philipp
   3. Domínguez de María, Pablo
   4. Jakobtorweihen, Sven
   5. Kara, Selin

   2020 - TUHH Open Research - frei zugänglich
10. Lessons learned from the calculation of one-dimensional potentials of mean force [Article v1.0]

    1. Markthaler, Daniel
    2. Jakobtorweihen, Sven
    3. Hansen, Niels

    2019 - TUHH Open Research - frei zugänglich
11. Accessing lipophilicity of drugs with biomimetic models: A comparative study using liposomes and micelles

    1. Loureiro, Daniela R. P.
    2. Soares, José X.
    3. Lopes, Daniela
    4. Macedo, Tiago
    5. Yordanova, Denitsa
    6. Jakobtorweihen, Sven
    7. Nunes, Cláudia

    2018 - TUHH Open Research
12. Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution

    1. Gebhardt, Julia
    2. Kleist, Catharina
    3. Jakobtorweihen, Sven
    4. Hansen, Niels

    2018 - TUHH Open Research
13. Metronidazole within phosphatidylcholine lipid membranes: New insights to improve the design of imidazole derivatives

    1. Lopes-de-Campos, Daniela
    2. Nunes, Cláudia
    3. Sarmento, Bruno
    4. Jakobtorweihen, Sven
    5. Reis, Salette

    2018 - TUHH Open Research
14. Molecular simulations of thermodynamic properties for the system α-cyclodextrin/alcohol in aqueous solution

    1. Markthaler, Daniel
    2. Gebhardt, Julia
    3. Jakobtorweihen, Sven
    4. Hansen, Niels

    2017 - TUHH Open Research - frei zugänglich
15. 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
16. Shedding light on the puzzle of drug-membrane interactions: Experimental techniques and molecular dynamics simulations

    1. Lopes, Daniela
    2. Jakobtorweihen, Sven
    3. Nunes, Cláudia
    4. Sarmento, Bruno
    5. Reis, Salette

    2017 - TUHH Open Research
17. 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
18. 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
19. Predicting critical micelle concentrations with molecular dynamics simulations and COSMOmic

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

    2017 - TUHH Open Research
20. 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