ViSCa: A computational toolbox for vibrational spectral calculations—Application to sum frequency generation spectroscopy of proteins KH Saeed, K Strunge, R Mertig, SJ Roeters, T Weidner The Journal of Chemical Physics 163 (14) , 2025 2025 Citations: 2
Polystyrene Nanoplastic Contaminants Denature Human Apolipoprotein A-1 A Mishra, TW Golbek, J Zubia-Aranburu, F Madzharova, T Drace, ... Nano Letters 25 (35), 13160-13165 , 2025 2025 Citations: 4
Estimation of vibrational spectra of Trp-cage protein from nonequilibrium metadynamics simulations SA Fischer, SJ Roeters, H Meuzelaar, S Woutersen, T Weidner, ... Biophysical Journal 123 (20), 3500-3506 , 2024 2024 Citations: 2
Crossing research borders to combat protein aggregation disorders VR S. J. Roeters, A. Sapmaz, R. A. M. Buijsen, Patrick C. A. van der Wel Trends in Neurology 17, 73- 82 , 2024 2024
Probing Backbone Coupling within Hydrated Proteins with Two-Color 2D Infrared Spectroscopy F Madzharova, AS Chatterley, SJ Roeters, T Weidner The Journal of Physical Chemistry Letters 15 (18), 4933-4939 , 2024 2024 Citations: 1
Two Receptor Binding Strategy of SARS-CoV-2 Is Mediated by Both the N-Terminal and Receptor-Binding Spike Domain M Monti, E Milanetti, MT Frans, M Miotto, L Di Rienzo, MV Baranov, ... The Journal of Physical Chemistry B 128 (2), 451-464 , 2024 2024 Citations: 16
Liquid–Liquid Phase Separation of the Intrinsically Disordered Domain of the Fused in Sarcoma Protein Results in Substantial Slowing of Hydration Dynamics CS Krevert, D Chavez, S Chatterjee, LS Stelzl, S Pütz, SJ Roeters, ... The Journal of Physical Chemistry Letters 14 (49), 11224-11234 , 2023 2023 Citations: 18
Umbrella-like Helical Structure of α-Synuclein at the Air–Water Interface Observed with Experimental and Theoretical Sum Frequency Generation Spectroscopy K Strunge, T Burgin, TW Golbek, SJ Roeters, J Pfaendtner, T Weidner The Journal of Physical Chemistry Letters 14 (49), 11030-11035 , 2023 2023 Citations: 9
Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces SJ Roeters, K Strunge, KB Pedersen, TW Golbek, M Bregnhøj, Y Zhang, ... Nature Communications 14 (1), 5731 , 2023 2023 Citations: 34
Crowding alters F-actin secondary structure and hydration X Chen, SJ Roeters, F Cavanna, J Alvarado, CR Baiz Communications Biology 6 (1), 900 , 2023 2023 Citations: 16
Orientation of the Dysferlin C2A Domain is Responsive to the Composition of Lipid Membranes AP Carpenter, P Khuu, T Weidner, CP Johnson, SJ Roeters, JE Baio The Journal of Physical Chemistry B 127 (2), 577-589 , 2023 2023 Citations: 7
In Situ Identification of Secondary Structures in Unpurified Bombyx mori Silk Fibrils Using Polarized Two-Dimensional Infrared Spectroscopy G Giubertoni, F Caporaletti, SJ Roeters, AS Chatterley, T Weidner, P Laity, ... Biomacromolecules 23 (12), 5340-5349 , 2022 2022 Citations: 21
The giant staphylococcal protein Embp facilitates colonization of surfaces through Velcro-like attachment to fibrillated fibronectin N Khan, H Aslan, H Büttner, H Rohde, TW Golbek, SJ Roeters, ... eLife 11, e76164 , 2022 2022 Citations: 15
Peptide Mimic of the Marine Sponge Protein Silicatein Fabricates Ultrathin Nanosheets of Silicon Dioxide and Titanium Dioxide K Strunge, N Hoinkis, H Lutz, S Alamdari, SJ Roeters, H Lu, J Pfaendtner, ... Langmuir 38 (26), 8087-8093 , 2022 2022 Citations: 6
The Diatom Peptide R5 Fabricates Two-Dimensional Titanium Dioxide Nanosheets M Bregnhøj, H Lutz, SJ Roeters, I Lieberwirth, R Mertig, T Weidner The Journal of Physical Chemistry Letters 13 (22), 5025-5029 , 2022 2022 Citations: 6
Structure and Orientation of the SARS-Coronavirus-2 Spike Protein at Air–Water Interfaces M Bregnhøj, SJ Roeters, AS Chatterley, F Madzharova, R Mertig, ... The Journal of Physical Chemistry B 126 (18), 3425-3430 , 2022 2022 Citations: 5
Tutorials in vibrational sum frequency generation spectroscopy. II. Designing a broadband vibrational sum frequency generation spectrometer JD Pickering, M Bregnhøj, AS Chatterley, MH Rasmussen, SJ Roeters, ... Biointerphases 17 (1) , 2022 2022 Citations: 39
Membrane Structure of Aquaporin Observed with Combined Experimental and Theoretical Sum Frequency Generation Spectroscopy L Schmüser, M Trefz, SJ Roeters, W Beckner, J Pfaendtner, D Otzen, ... Langmuir 37 (45), 13452-13459 , 2021 2021 Citations: 5
Direct Evidence for Aligned Binding of Cellulase Enzymes to Cellulose Surfaces K Sprenger, SJ Roeters, S Mauri, R Mertig, Y Nishiyama, J Pfaendtner, ... The Journal of Physical Chemistry Letters 12 (43), 10684-10688 , 2021 2021 Citations: 10
Interaction of Amyloid-β-(1–42) Peptide and Its Aggregates with Lipid/Water Interfaces Probed by Vibrational Sum-Frequency Generation Spectroscopy S Strazdaite, SJ Roeters, A Sakalauskas, T Sneideris, J Kirschner, ... The Journal of Physical Chemistry B 125 (40), 11208-11218 , 2021 2021 Citations: 22
MOST CITED SCHOLAR PUBLICATIONS
Structure and Dynamics of Interfacial Peptides and Proteins from Vibrational Sum-Frequency Generation Spectroscopy S Hosseinpour, SJ Roeters, M Bonn, W Peukert, S Woutersen, T Weidner Chemical Reviews 120 (7), 3420-3465 , 2020 2020 Citations: 220
Evidence for intramolecular antiparallel beta-sheet structure in alpha-synuclein fibrils from a combination of two-dimensional infrared spectroscopy and atomic force microscopy SJ Roeters, A Iyer, G Pletikapić, V Kogan, V Subramaniam, S Woutersen Scientific reports 7 (1), 41051 , 2017 2017 Citations: 185
In-Silico evidence for a two receptor based strategy of SARS-CoV-2 E Milanetti, M Miotto, L Di Rienzo, M Nagaraj, M Monti, TW Golbek, ... Frontiers in molecular biosciences 8 , 2021 2021 Citations: 145
IM30 triggers membrane fusion in cyanobacteria and chloroplasts R Hennig, J Heidrich, M Saur, L Schmüser, SJ Roeters, N Hellmann, ... Nature communications 6 (1), 7018 , 2015 2015 Citations: 131
The impact of N-terminal acetylation of α-synuclein on phospholipid membrane binding and fibril structure A Iyer, SJ Roeters, N Schilderink, B Hommersom, RMA Heeren, ... Journal of biological chemistry 291 (40), 21110-21122 , 2016 2016 Citations: 123
C-terminal truncated α-synuclein fibrils contain strongly twisted β-sheets A Iyer, SJ Roeters, V Kogan, S Woutersen, MMAE Claessens, ... Journal of the American Chemical Society 139 (43), 15392-15400 , 2017 2017 Citations: 119
Ice-nucleating proteins are activated by low temperatures to control the structure of interfacial water SJ Roeters, TW Golbek, M Bregnhøj, T Drace, S Alamdari, W Roseboom, ... Nature communications 12 (1), 1183 , 2021 2021 Citations: 116
Determining in situ protein conformation and orientation from the amide-I sum-frequency generation spectrum: theory and experiment SJ Roeters, CN Van Dijk, A Torres-Knoop, EHG Backus, RK Campen, ... The Journal of Physical Chemistry A 117 (29), 6311-6322 , 2013 2013 Citations: 116
Repelling and ordering: the influence of poly (ethylene glycol) on protein adsorption C Bernhard, SJ Roeters, J Franz, T Weidner, M Bonn, G Gonella Physical Chemistry Chemical Physics 19 (41), 28182-28188 , 2017 2017 Citations: 66
Calcium-Induced Molecular Rearrangement of Peptide Folds Enables Biomineralization of Vaterite Calcium Carbonate H Lu, H Lutz, SJ Roeters, MA Hood, A Schäfer, R Muñoz-Espí, R Berger, ... Journal of the American Chemical Society 140 (8), 2793-2796 , 2018 2018 Citations: 65
Orientation and conformation of proteins at the air–water interface determined from integrative molecular dynamics simulations and sum frequency generation spectroscopy S Alamdari, SJ Roeters, TW Golbek, L Schmuser, T Weidner, J Pfaendtner Langmuir 36 (40), 11855-11865 , 2020 2020 Citations: 58
Interplay between Hydrogen Bonding and Vibrational Coupling in Liquid N -Methylacetamide AV Cunha, E Salamatova, E Bloem, SJ Roeters, S Woutersen, ... The journal of physical chemistry letters 8 (11), 2438-2444 , 2017 2017 Citations: 50
Tutorials in vibrational sum frequency generation spectroscopy. II. Designing a broadband vibrational sum frequency generation spectrometer JD Pickering, M Bregnhøj, AS Chatterley, MH Rasmussen, SJ Roeters, ... Biointerphases 17 (1) , 2022 2022 Citations: 39
Hydrophobic Collapse in N -Methylacetamide–Water Mixtures E Salamatova, AV Cunha, E Bloem, SJ Roeters, S Woutersen, ... The Journal of Physical Chemistry A 122 (9), 2468-2478 , 2018 2018 Citations: 37
Determination of Absolute Orientation of Protein α-Helices at Interfaces Using Phase-Resolved Sum Frequency Generation Spectroscopy L Schmüser, S Roeters, H Lutz, S Woutersen, M Bonn, T Weidner The Journal of Physical Chemistry Letters 8 (13), 3101-3105 , 2017 2017 Citations: 37
Observation of pH-Induced Protein Reorientation at the Water Surface K Meister, SJ Roeters, A Paananen, S Woutersen, J Versluis, GR Szilvay, ... The journal of physical chemistry letters 8 (8), 1772-1776 , 2017 2017 Citations: 35
Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces SJ Roeters, K Strunge, KB Pedersen, TW Golbek, M Bregnhøj, Y Zhang, ... Nature Communications 14 (1), 5731 , 2023 2023 Citations: 34
Sticky water surfaces: Helix–coil transitions suppressed in a cell-penetrating peptide at the air-water interface D Schach, C Globisch, SJ Roeters, S Woutersen, A Fuchs, CK Weiss, ... The Journal of Chemical Physics 141 (22) , 2014 2014 Citations: 31
Ice-binding site of surface-bound type III antifreeze protein partially decoupled from water D Verreault, S Alamdari, SJ Roeters, R Pandey, J Pfaendtner, T Weidner Physical Chemistry Chemical Physics 20 (42), 26926-26933 , 2018 2018 Citations: 26
Peptide-Controlled Assembly of Macroscopic Calcium Oxalate Nanosheets H Lu, A Schäfer, H Lutz, SJ Roeters, I Lieberwirth, R Muñoz-Espí, ... The journal of physical chemistry letters 10 (9), 2170-2174 , 2019 2019 Citations: 23
