Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Melanie König"'
Autor:
Jan A. Stevens, Fabian Grünewald, P. A. Marco van Tilburg, Melanie König, Benjamin R. Gilbert, Troy A. Brier, Zane R. Thornburg, Zaida Luthey-Schulten, Siewert J. Marrink
Publikováno v:
Frontiers in Chemistry, Vol 11 (2023)
The ultimate microscope, directed at a cell, would reveal the dynamics of all the cell’s components with atomic resolution. In contrast to their real-world counterparts, computational microscopes are currently on the brink of meeting this challenge
Externí odkaz:
https://doaj.org/article/ec6346a36976419a93f6e9f4abc90255
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-9 (2020)
Computer simulations of large-scale changes in membrane shape are challenging since they occur across a wide range of spatiotemporal scales. Here, authors present a multiscale algorithm that backmaps a continuum membrane model represented as a dynami
Externí odkaz:
https://doaj.org/article/c56f67a2bf8f4ce9b0a23fb2e03f8967
Autor:
Abigail Newe, Karolina Rzeniewicz, Melanie König, Carsten F. E. Schroer, Justin Joachim, Angela Rey-Gallardo, Siewert J. Marrink, Jürgen Deka, Maddy Parsons, Aleksandar Ivetic
Publikováno v:
Frontiers in Immunology, Vol 10 (2019)
The migration of circulating leukocytes toward damaged tissue is absolutely fundamental to the inflammatory response, and transendothelial migration (TEM) describes the first cellular barrier that is breached in this process. Human CD14+ inflammatory
Externí odkaz:
https://doaj.org/article/eccfc0ffef7e4d0e8d2c08cc4808aab8
Publikováno v:
Frontiers in Molecular Biosciences, Vol 6 (2019)
We present a multi-scale simulation procedure to describe membrane-related biological processes that span over a wide range of length scales. At macroscopic length-scale, a membrane is described as a flexible thin film modeled by a dynamic triangulat
Externí odkaz:
https://doaj.org/article/e23b3dff5b054ed0aefe5092c02cc694
Autor:
Rasoul Nourizadeh-Lillabadi, Jacob Seilø Torgersen, Olav Vestrheim, Melanie König, Peter Aleström, Mohasina Syed
Publikováno v:
PLoS ONE, Vol 5, Iss 10, p e13573 (2010)
BACKGROUND: The Prion protein (PRNP/Prp) plays a crucial role in transmissible spongiform encephalopathies (TSEs) like Creutzfeldt-Jakob disease (CJD), scrapie and mad cow disease. Notwithstanding the importance in human and animal disease, fundament
Externí odkaz:
https://doaj.org/article/ce53e3f95320436fb35f4b0b4366b377
Autor:
Fabian Grünewald, Mats H. Punt, Elizabeth E. Jefferys, Petteri A. Vainikka, Melanie König, Valtteri Virtanen, Travis A. Meyer, Weria Pezeshkian, Adam J. Gormley, Maarit Karonen, Mark S. P. Sansom, Paulo C. T. Souza, Siewert J. Marrink
Publikováno v:
Journal of Chemical Theory and Computation, 18(12). AMER CHEMICAL SOC
Grünewald, F, Punt, M H, Jefferys, E E, Vainikka, P, König, M, Virtanen, V, Meyer, T A, Pezeshkian, W, Gormley, A, Karonen, M, Sansom, M S P, Souza, P C T & Marrink, S 2022, ' Martini 3 Coarse-Grained Force Field for Carbohydrates ', Journal of Chemical Theory and Computation, vol. 18, no. 12, pp. 7555-7569 . https://doi.org/10.1021/acs.jctc.2c00757
Grünewald, F, Punt, M H, Jefferys, E E, Vainikka, P, König, M, Virtanen, V, Meyer, T A, Pezeshkian, W, Gormley, A, Karonen, M, Sansom, M S P, Souza, P C T & Marrink, S 2022, ' Martini 3 Coarse-Grained Force Field for Carbohydrates ', Journal of Chemical Theory and Computation, vol. 18, no. 12, pp. 7555-7569 . https://doi.org/10.1021/acs.jctc.2c00757
The Martini 3 force field is a full reparametrization of the Martini coarse-grained model for biomolecular simulations. Due to the improved interaction balance, it allows for a more accurate description of condensed phase systems. In the present work
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed2775c6911d458d8f4bc2eddd1acc5f
https://doi.org/10.1021/acs.jctc.2c00757
https://doi.org/10.1021/acs.jctc.2c00757
Publikováno v:
Biophysical Journal. 121:309a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::29c7e87773600a3ca0fded548e65637d
https://doi.org/10.1016/j.bpj.2021.11.1209
https://doi.org/10.1016/j.bpj.2021.11.1209
Autor:
Niklas O. Junker, Jörg Fitter, Mehdi D. Davari, Isabell Hofmann, Ljubica Vojcic, Tayebeh Mirzaei Garakani, Martin J. Thiele, Ulrich Schwaneberg, Melanie König
Publikováno v:
ACS Catalysis. 8:10876-10887
Understanding interactions between polymers and enzymes to boost enzymatic activity is of high importance for application of enzymes in multicomponent systems, such as laundry, food, pharmaceuticals, or cosmetics. Proteases are widely used in industr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b55fb88e1240835e9a9ed610ca7c629
https://doi.org/10.1021/acscatal.8b02935
https://doi.org/10.1021/acscatal.8b02935
Autor:
Martin J. Thiele, Mehdi D. Davari, Isabell Hofmann, Melanie König, Carlos G. Lopez, Ljubica Vojcic, Walter Richtering, Ulrich Schwaneberg, Larisa A. Tsarkova
Publikováno v:
Angewandte Chemie. 130:9546-9551
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba10bd147038c061fb41312ba9ea64ed
https://doi.org/10.1002/ange.201805021
https://doi.org/10.1002/ange.201805021
Autor:
Ljubica Vojcic, Carlos G. Lopez, Isabell Hofmann, Walter Richtering, Melanie König, Martin J. Thiele, Ulrich Schwaneberg, Larisa Tsarkova, Mehdi D. Davari
Publikováno v:
Angewandte Chemie International Edition. 57:9402-9407
Reported is an unanticipated mechanism of attractive electrostatic interactions of fully neutralized polyacrylic acid (PAA) with like-charged surfactants. Amphiphilic polymer-surfactant complexes with high interfacial activity and a solubilization ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a03b4cfbecffe37d914f0f61003317e
https://doi.org/10.1002/anie.201805021
https://doi.org/10.1002/anie.201805021