Philipp Nicolas Depta
- Address
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Hamburg University of Technology
Feststoffverfahrenstechnik und Partikeltechnologie
Denickestraße 15 (K)
21073 Hamburg - Office
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Building K
Room 2507 - Phone
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Tel: +49 40 42878 2765
- nicolas.depta(at)tuhh(dot)de
Research Project
Publications
- Depta P.N., Dosta, M., Heinrich, S. (2023). Data-Driven Multiscale Modeling of Self-Assembly and Hierarchical Structural Formation in Biological Macro-Molecular Systems: Pyruvate Dehydrogenase Complex, In: W.E. Nagel, D.H. Kröner, M.M. Resch (eds.) High Performance Computing in Science and Engineering ’22. Springer International Publishing, Cham (2023, in print)
- Depta P.N., Dosta, M., Wenzel, W., Kozlowska, M., Heinrich, S. (2022). Hierarchical Coarse-Grained Strategy for Macromolecular Self-Assembly: Application to Hepatitis B Virus-Like Particles, Int. J. Mol. Sci., 23 (23), 14699, DOI: 10.3390/ijms232314699
- Depta P.N., Dosta M., Heinrich S. (2022). Data-driven multiscale modeling of self-assembly and hierarchical structural formation in biological macro-molecular systems: Pyruvate Dehydrogenase Complex. In 25th Results and Review Workshop of the HLRS (Presentation).
- Depta P.N., Dosta, M., Heinrich, S. (2022). Data-Driven Multiscale Modeling of Self-Assembly and Hierarchical Structural Formation in Biological Macro-Molecular Systems, In: W.E. Nagel, D.H. Kröner, M.M. Resch (eds.) High Performance Computing in Science and Engineering ’21. Springer International Publishing, Cham (2023), DOI: 10.1007/978-3-031-17937-2_32
- Depta P.N., Gurikov P., Schroeter B., Forgács A., Kalmár J., Paul G., Marchese L., Heinrich S., Dosta M. (2022). DEM-Based Approach for the Modeling of Gelation and Its Application to Alginate, J. Chem. Inf. Model, 62 (2022) 1, 49-70, DOI: 10.1021/acs.jcim.1c01076
- Depta P.N., Dosta M., Heinrich S. (2021). Data-driven multiscale modeling of self-assembly and hierarchical structural formation in biological macro-molecular systems. In 24th Results and Review Workshop of the HLRS (Presentation).
- Depta P.N., Jandt U., Jacobi C., Dosta M., Zeng A.-P., Heinrich S. (2021). Multiscale modeling of the structural formation in biological macromolecular systems using data-driven coupling. In DECHEMA International Workshop on Molecular Modeling and Simulation 2021 (Presentation).
- Depta P.N., Jandt U., Müller C., Ilhan S., Dosta M., Zeng A.-P., Heinrich S. (2020). Data-driven multiscale modeling of self-assembly and hierarchical structural formation in biological macromolecular systems. CIT, 92: 1249-1249, DOI: 10.1002/cite.202055390
- Depta P.N., Jandt U., Ilhan S., Jacobi C., Dosta M., Zeng A.-P., Heinrich S. (2020/21). Data-driven coupling of MD and DEM for the investigation of structural formation in biological macromolecular systems. In WCCM ECCOMAS 2020/21 (Presentation).
- Depta P.N., Jandt U., Dosta M., Zeng A.-P., Heinrich S. (2019): Toward Multiscale Modeling of Proteins and Bioagglomerates: An Orientation-Sensitive Diffusion Model for the Integration of Molecular Dynamics and the Discrete Element Method, J. Chem. Inf. Model, 59 (2019) 1, 386-398, DOI: 10.1021/acs.jcim.8b00613
- Depta P.N., Jandt U., Ilhan S., Jacobi C., Dosta M., Zeng A.-P., Heinrich S. (2019). Bridging the gap between MD and DEM: Modeling functional particles for biotechnological applications. In Particles 2019 (Presentation).
- Jacobi C., Ilhan S., Depta P.N., Steinbrecher T., Khansahib I., Dosta M., Heinrich S., Zeng A.-P., Jandt U. (2019). Towards Designed Multienzymatic Bioreactions: Changed Assembly Kinetics of Enzyme Complexes by Modifying Flexible Linker Domains. In: EBSA 2019 (Poster).
- Depta P.N., Jandt U., Ilhan S., Jacobi C., Dosta M., Zeng A.-P., Heinrich S. (2019). Bridging the gap between MD and DEM: Models for macromolecular particle systems on the nano to micro scale. In DEM8 (Poster).
- Jandt U., Depta P.N., Ilhan S., Jacobi C., Dosta M., Heinrich S., Zeng A.-P. (2019). Towards the digital design of bioreaction cascades: Multi-scale modeling to investigate the structural development of enzyme clusters responsible for efficient cascade bioreactions. In: Himmelfahrtstagung 2019 (Presentation).
- Depta P.N., Jandt U., Ilhan S., Müller C., Dosta M., Zeng A.-P., Heinrich S. (2019). Particle systems on the molecular scale: Multiscale modeling of bio-agglomerates. In: Proceedings of PARTEC 2019 (Presentation).
- Depta P.N., Jandt U., Ilhan S., Müller C., Dosta M., Zeng A.-P., Heinrich S. (2018). Multiscale modeling to investigate catalytically active enzymatic aggregates for cascade bioreactions. CIT, 90: 1338-1338, DOI: 10.1002/cite.201855443
- Jandt U., Depta P.N., Ilhan S., Müller C., Dosta M., Zeng A.-P., Heinrich S. (2018). Multiscale modeling of mixtures of catalytically active and inactive enzymatic aggregates. In: Himmelfahrtstagung 2018 (Poster).