Ab initio derived force‐field parameters for molecular dynamics simulations of deprotonated amorphous‐SiO2/water interfaces A Butenuth, G Moras, J Schneider, M Koleini, S Köppen, R Meißner, ... physica status solidi (b) 249 (2), 292-305, 2012 | 80 | 2012 |
Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO M Landmann, T Köhler, S Köppen, E Rauls, T Frauenheim, WG Schmidt Physical Review B 86 (6), 064201, 2012 | 78 | 2012 |
Adsorption of small organic molecules on anatase and rutile surfaces: a theoretical study S Köppen, W Langel Physical Chemistry Chemical Physics 10 (14), 1907-1915, 2008 | 74 | 2008 |
Simulation of the interface of (1 0 0) rutile with aqueous ionic solution S Köppen, W Langel Surface science 600 (10), 2040-2050, 2006 | 57 | 2006 |
The role of surface functionalization of colloidal alumina particles on their controlled interactions with viruses F Meder, J Wehling, A Fink, B Piel, K Li, K Frank, A Rosenauer, L Treccani, ... Biomaterials 34 (17), 4203-4213, 2013 | 40 | 2013 |
Adsorption of collagen fragments on titanium oxide surfaces: A molecular dynamics study S Köppen, B Ohler, W Langel Zeitschrift für Physikalische Chemie 221 (1), 3-20, 2007 | 35 | 2007 |
Lysine residues control the conformational dynamics of beta 2-glycoprotein I I Buchholz, P Nestler, S Köppen, M Delcea Physical Chemistry Chemical Physics 20 (42), 26819-26829, 2018 | 25 | 2018 |
Label-free biosensing with single-molecule force spectroscopy G Wei, S Steckbeck, S Köppen, LC Ciacchi Chemical Communications 49 (31), 3239-3241, 2013 | 24 | 2013 |
Atomistic Simulations of the ZnO (12̅10)/Water Interface: A Comparison between First-Principles, Tight-Binding, and Empirical Methods. SH Große, S Köppen, T Frauenheim, LC Colombi Journal of chemical theory and computation 8 (11), 4517-4526, 2012 | 24 | 2012 |
Titanium binding dodecapeptides and the impact of water structure W Friedrichs, S Köppen, W Langel Surface Science 617, 42-52, 2013 | 19 | 2013 |
Adsorption of Collagen Nanofibrils on Rough TiO2: A Molecular Dynamics Study W Friedrichs, B Ohler, W Langel, S Monti, S Köppen Advanced Engineering Materials 13 (10), B334-B342, 2011 | 17 | 2011 |
Physisorption of α-chymotrypsin on SiO2 and TiO2: A comparative study via experiments and molecular dynamics simulations L Derr, N Hildebrand, S Köppen, S Kunze, L Treccani, R Dringen, ... Biointerphases 11 (1), 011007, 2016 | 16 | 2016 |
Simulated and experimental force spectroscopy of lysozyme on silica N Hildebrand, G Wei, S Köppen, LC Ciacchi Physical Chemistry Chemical Physics 20 (29), 19595-19605, 2018 | 12 | 2018 |
Creation of models and parametrization of a classical force field for amorphous Al2O3/water interfaces based on Density Functional Theory S Lid, S Köppen, LC Ciacchi Computational Materials Science 140, 307-314, 2017 | 12 | 2017 |
Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: A comparison between density functional theory and density functional tight binding results S Grosse Holthaus, S Köppen, T Frauenheim, LC Ciacchi The Journal of chemical physics 140 (23), 234707, 2014 | 12 | 2014 |
The role of water co-adsorption on the modification of ZnO nanowires using acetic acid A Domínguez, S grosse Holthaus, S Köppen, T Frauenheim, AL da Rosa Physical Chemistry Chemical Physics 16 (18), 8509-8514, 2014 | 11 | 2014 |
Nanoscale Properties of Solid–Liquid Interfaces L Colombi Ciacchi, S Köppen Encyclopedia of Nanotechnology, 1728-1733, 2012 | 2 | 2012 |