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Preprints
1. |
F. Balzaretti, M. von Einem, L. Gerhards, W. Dononelli, T. Stauch, Th. Klüner, S. Köppen
Charge-Transfer Promoted Fixation of Glyphosate on TiO2 - a Multiscale Approach
(2021)
chemrxiv.14465436
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Papers
29. |
A. Avdoshin, V. Naumov, L. Colombi Ciacchi, S. Ignatov, S. Köppen
Atomistic simulations of chitosan as possible carrier system for miRNA transport
Materials Advances, (2023) Full text
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28. |
V. Gupta, F. Balzaretti, P. Gou, S. Köppen, Th. Frauenheim, A. Dominguez Garcia
NO Degradation on the Anatase TiO2 (001) Surface in the Presence of Water
Journal of Physical Chemistry C 126, 17544-17553 (2022)
Full text; ChemRxiv
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27. |
S.M. Ayala Mariscal, M.L.Pigazzini, Y. Richter, M. Özel, I.L. Grothaus, J. Protze, K. Ziege, M. Kulke, M. ElBediwi, J. Vermaas, L. Colombi Ciacchi, S. Köppen, F. Liu, J. Kirstein
Identification of a HTT-specific binding motif in DNAJB1 essential for suppression and disaggregation of HTT
Nature Communications 13, 4692 (2022)
Full text ;
Blog post |
26. |
S. Stamboroski, K. Boateng, J. Lierath, Th. Kowlaik, K. Thiel, S. Köppen, M. Noeske, D. Brüggemann
Influence of divalent metal ions on the precipitation of the plasma protein fibrinogen
Biomacromolecules 22, 4642-4658 (2021)
Full text |
25. |
F. Balzaretti, V. Gupta, L. Colombi Ciacchi, B. Aradi, T. Frauenheim, S. Köppen
Water reactions on reconstructed rutile TiO2: a DFT / DFTB approach
The Journal of Physical Chemistry C 125, 13234-13246 (2021)
Full text |
24. |
S. Stamboroski, A. Joshi, M. Noeske, S. Köppen, D. Brüggemann
Principles of Fibrinogen Fiber assembly in vitro
Macromolecular Bioscience 21 (5), 2000412 (2021)
Full text |
23. |
M. Kulke, M. Uhrhan, B. Ohler, N. Geist, D. Brüggemann, W. Langel, S. Köppen
Phosphorylation of fibronectin influences the structural stability of the predicted interchain domain
Journal of Chemical Information and Modelling 59, 4383-4392 (2019)
Full text |
22. |
M. Michaelis, A. Fayyaz, M. Parambath, S. Köppen, L. Colombi Ciacchi, Q. Hanley, C. Perry
A platform for screening abiotic/biotic interactions using indicator displacement assays
Langmuir 35, 14230-14237 (2019)
Full text |
21. |
I. Buchholz, P. Nestler, S. Köppen, M. Delcea
Lysine residues control the conformational dynamics of beta 2-glycoprotein I
Physical Chemistry Chemical Physics 20, 26819-26829 (2018)
Full text |
20. |
N. Hildebrand, M. Michaelis, N. Wurzler, Z. Li, J.D. Hirst, A. Micsonai, J. Kardos,
A. Gil-Ley, G. Bussi, S. Köppen, M. Delle Piane, L. Colombi Ciacchi
Atomistic details of chymotrypsin conformational changes upon adsorption on silica
ACS Biomaterials Science & Engineering 4, 4036-4050 (2018)
Full text |
19. |
N. Hildebrand, G. Wei, S. Köppen, L. Colombi Ciacchi
Simulated and experimental force spectroscopy of lysozyme on silica
Physical Chemistry Chemical Physics 20, 19595-19605 (2018)
Full text |
18. |
S. Lid, S. Köppen, L. Colombi Ciacchi
Creation of models and parametrization of a classical force field for amorphous Al2O3/water interfaces based on density functional theory
Computational Materials Science 140, 307-314 (2017)
Full text |
17. |
L. Derr, N. Hildebrand, S. Köppen, S. Kunze, L. Treccani, R. Dringen, K. Rezwan, L. Colombi Ciacchi
Physisorption of α-chymotrypsin on SiO2 and TiO2: A comparative study via experiments and molecular dynamics simulations
Biointerphases 11, 011007 (2016)
Full text |
16. |
N. Hildebrand, S. Köppen, L. Derr, K. Li, M. Koleini, K. Rezwan, L. Colombi Ciacchi
Adsorption orientation and binding motifs of lysozyme and chymotrypsin on amorphous silica
Journal of Physical Chemistry C 119, 7295-7307 (2015)
Full text |
15. |
S. große Holthaus, S. Köppen, T. Frauenheim, L. Colombi Ciacchi
Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: A Comparison between DFT and DFTB results
Journal of Chemical Physics 140, 234707 (2014)
Full text |
14. |
A. Dominguez Garcia, S. große Holthaus, S. Köppen, T. Frauenheim, A. Da Rosa
The role of water co-adsorption on the modification of ZnO nanowires with acetic acid
Physical Chemistry Chemical Physics 16, 8509-8514 (2014)
Full text |
13. |
W. Friedrichs, S. Köppen, W. Langel
Titanium binding dodecapeptides and the impact of water structure
Surface Science 617, 42-52 (2013)
Full text |
12. |
G. Wei, S. Steckbeck, S. Köppen, L. Colombi Ciacchi
Label-free biosensing with single-molecule force spectroscopy
Chemical Communications 49, 3239-3241 (2013) |
11. |
F. Meder, J. Wehling, A. Fink, B. Piel, K. Li, K. Frank, A. Rosenauer,
L. Treccani, S. Köppen, A. Dotzauer, K. Rezwan
The role of surface functionalization of colloidal alumina particles
on their controlled interactions with viruses
Biomaterials 34, 4203-4213 (2013)
Full text |
10. |
S. große Holthaus, S. Köppen, T. Frauenheim, L. Colombi Ciacchi
Atomistic simulations of the ZnO(1-210)/water interface: A comparison
between first-principles, tight-binding and empirical methods
Journal of Chemical Theory and Computation 8, 4517-4526 (2012)
Full text |
9. |
M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W. G. Schmidt
Fingerprints of order and disorder in the electronic and optical
properties of crystalline and amorphous TiO2
Physical Review B 86, 064201 (2012)
Full text |
8. |
A. Butenuth, G. Moras, J. Schneider, M. Koleini, S. Köppen,
R. Meißner, L. B. Wright, T. R. Walsh, L. Colombi Ciacchi
Ab-initio derived force-field parameters for molecular dynamics
simulations of deprotonated amorphous-SiO2/water interfaces
Physica Status Solidi (b) 249, 292-305 (2012)
(Back Cover)
Full text |
7. |
W. Friedrichs, B. Ohler, W. Langel, S. Monti, S. Köppen
Adsorption of collagen nanofibrils on rough TiO2: A molecular dynamics study
Advanced Engineering Materials 13, B334-B342 (2011)
(Inside Front Cover)
Full text |
6. |
Y. L. Zhao, S. Köppen, T. Frauenheim
An SCC-DFTB/MD study of the adsorption of zwitterionic glycine on a
geminal hydroxylated silica surface in an explicit water environment
Journal of Physical Chemistry C 115, 9615-9621 (2011)
Full text |
5. |
S. Köppen, W. Langel
Simulation of adhesion forces and energies of peptides on titanium dioxide surfaces
Langmuir 26, 15248-15256 (2010)
Full text |
4. |
S. Köppen, O. Bronkalla, W. Langel
Adsorption Configurations and Energies of Amino Acids on Anatase and Rutile Surfaces
Journal of Physical Chemistry C 112, 13600-13606 (2008)
Full text |
3. |
S. Köppen, W. Langel
Adsorption of small organic molecules on anatase and rutile Surfaces: A theoretical study
Physical Chemistry Chemical Physics 10, 1907-1915 (2008)
Full text |
2. |
S. Köppen, B. Ohler, W. Langel
Adsorption of Collagen Fragments on Titanium Oxide Surfaces: A Molecular Dynamics Study
Z. Phys. Chem. 221, 3-20 (2007)
Full text |
1. |
S. Köppen, W. Langel
Simulation of the Interface of (100) rutile with aqueous ionic solution
Surface Science 600, 2040-2050 (2006)
Full text |
Proceedings and other articles
1. |
L. Colombi Ciacchi, S. Köppen
Nanoscale properties of solid-liquid interfaces
Encyclopedia of Nanotechnology, Part 14, 1728-1733
Edited by B. Bhushan, Springer Verlag (2012)
Full Text
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Invited Talks
6. |
Modelling of hybrid interfaces: Does water play a role?
IN2UB Seminar – Interfaces and Surfaces, University of Barcelona, Barcelona, Spain, October 2022 |
5. |
Wohl definierte Grenzen - anziehende und abstoßende Effekte an hybriden Grenzflächen bis auf das letzte Atom genau
Bionik Seminar Hochschule Bremen (virtual), Bremen, Germany, January 2020 |
4. |
Ein Physiker auf dem Weg zur wahren Matrix
Colloquium on the occasion of the farewell of my Doctor Father Prof. Dr. Walter Langel, Greifswald, Germany, April 2019 |
3. |
Biomolecular Adsorption on Oxide Surfaces: What do Hybrid Materials Interfaces look like?
Seminar talk at Max Planck Institue for Polymer Research, Mainz, Germany, November 2012 |
2. |
Theoretical investigation of biofunctionalized oxide surfaces
Thermec - International Conference on Processing and Manufacturing of Advanced Materials, Quebec City, Canada, August 2011 |
1. |
Bio-functionalization of Technically Relevant Oxide Surfaces: A Theoretical Approach
EMRS Spring Meeting "Bioinspired and biointegrated materials as new frontiers nanomaterials II" Nice, France, May 2011 |
Conference Talks
15. |
S. Köppen
About the interaction of (bio)molecules and materials surfaces in aqueous ionic solutions – an atomistic study
Annual Meeting of the European Molecular Liquids Group (EMLG), Barcelona, Spain, September 2022 |
14. |
S. Köppen, Dorothea Brüggemann
Induction of in vitro fibronectin fiber assembly: an in silico study
6th BioMAT (virtual), May 2021 |
13. |
S. Köppen, Dorothea Brüggemann
Atomistic understanding of fibronectin adsorption on ceramic surfaces
MSE congress (virtual), September 2020 |
12. |
Myriam Uhrhan, Martin Kulke, Norman Geist, Walter Langel, Dorothea Brüggemann, S. Köppen
Atomistic Insights into the Adhesive Properties of Individual Fibronectin Modules
International Conference on Adhesion in Aqueous Media: From Biology to Synthetic Materials organized by the Leibnitz Institute for Polymer Research, Dresden, Germany, September 2019 |
11. |
S. Köppen
Biomolecular Adsorption on Oxide Surfaces: A Theoretical Approach
SSBII Surface Science of Biology Important Interfaces, Manchester, UK, October 2012 |
10. |
S. KÖppen, K. Li, L. Colombi Ciacchi
Comparative analysis of the adsorption of chymotrypsin on two oxide materials surfaces with opposite charge
EMRS Fall Meeting, Warzwa, Poland, September 2012 |
9. |
W. Friedrichs, B. Ohler, W. Langel, S. Monti, S. Köppen
bioadsorption properties of tropocollagen like molecules onto rough titania surfaces
Euro BioMat "European Symposium on Biomaterials and Related Areas" Jena, Germany, April 2011 |
8. |
S. Köppen, W. Friedrichs, L. Colombi Ciacchi, W. Langel
Simulation of the adsorption of collagen like peptides on titianium dioxide
EMRS Spring Meeting "Functional Biointerfaces" Strasbourg, France, June 2010 |
7. |
S. Köppen, L. Colombi Ciacchi, W. Langel
Energetics of Peptide Adsorption on Titanium Dioxide Surfaces
PROSURF workshop "Protein Surface Interactions" Sestri Levante, Italy, June 2009 |
6. |
S. Köppen, W. Friedrichs, B. Ohler, S. Monti, W. Langel
Collagen on Titanium Dioxide Surfaces: A Refined Computer Model for
the Interaction of Triplehelix and Telopeptide with Titanium Dioxide
Layers
3rd International Symposium "Interface Biology Of Implants" Rostock, Germany, May 2009 |
5. |
S. Köppen, W. Langel
Simulations on the Adhesion Energetics of Peptides and Titanium Dioxide Surfaces
ESF workshop "Challenges in modelling the interface between biomolecules and inorganic surfaces" Mainz, Germany, March 2009 |
4. |
S. Köppen, W. Langel
Atomistische Simulation der Wechselwirkung von Kollagen mit titanimplantaten
in biologischer Lösung
4th workshop "Biomaterialien" of the Mineralische und Technische
Kristallographie and Deutsche Gesellschaft für Kristallographie,
Halle, Germany, October 2008 |
3. |
S. Köppen, W. Langel
Calculations on the Adsorption of Special Functional Groups on Titanium Dioxides:
Amino, Imidazole and Carboxyl
COST Action D41 of WG2, Verbania, Italy, April 2008 |
2. |
S. Köppen Simulation der Adäsion von kleinen Biomolekülen (Di- und tripeptiden)
auf Titandioxidoberflächen
DFG Workshop (Nachwuchsakademie Materialwissenschaft & Werkstofftechnik
"Computational Materials Science - Grenzflächen und Grenzflächendominierte
Prozesse"),
St. Mergen, Germany, March 2008 |
1. |
S. Köppen, B. Ohler, W. Langel
Neue Ansätze zur Simulation von Adsorptions- und Oberflächenenergien
auf Anatas und Rutil
106th Bunsen Meeting, Graz, Austria, May 2007 |
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