Depta PN - Search Results

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DEM-Based Approach for the Modeling of Gelation and Its Application to Alginate.

Depta PN, Gurikov P, Schroeter B, Forgács A, Kalmár J, Paul G, Marchese L, Heinrich S, Dosta M. Depta PN, et al. J Chem Inf Model. 2022 Jan 10;62(1):49-70. doi: 10.1021/acs.jcim.1c01076. Epub 2021 Dec 22. J Chem Inf Model. 2022. PMID: 34936761 Free article.

Toward Multiscale Modeling of Proteins and Bioagglomerates: An Orientation-Sensitive Diffusion Model for the Integration of Molecular Dynamics and the Discrete Element Method.

Depta PN, Jandt U, Dosta M, Zeng AP, Heinrich S. Depta PN, et al. J Chem Inf Model. 2019 Jan 28;59(1):386-398. doi: 10.1021/acs.jcim.8b00613. Epub 2019 Jan 4. J Chem Inf Model. 2019. PMID: 30550276

Hierarchical Coarse-Grained Strategy for Macromolecular Self-Assembly: Application to Hepatitis B Virus-Like Particles.

Depta PN, Dosta M, Wenzel W, Kozlowska M, Heinrich S. Depta PN, et al. Int J Mol Sci. 2022 Nov 24;23(23):14699. doi: 10.3390/ijms232314699. Int J Mol Sci. 2022. PMID: 36499027 Free PMC article.

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