| Multiscale Simulations of Self-Assembling Peptides: Surface and Core Hydrophobicity Determine Fibril Stability and Amyloid Aggregation A Iscen, K Kaygisiz, CV Synatschke, T Weil, K Kremer Biomacromolecules 25 (5), 3063-3075, 2024 | | 2024 |
| Entanglement-Stabilized Nanoporous Polymer Films Made by Mechanical Deformation HP Hsu, K Kremer Macromolecules 57 (6), 2998-3012, 2024 | | 2024 |
| Multiscale approaches to model the functions of Ubiquitin and SUMO modifications in protein phase separation S Naskar, K Kremer, O Kukharenko Bulletin of the American Physical Society, 2024 | | 2024 |
| Mesoscopic modeling of dynamically helical polymers: Cooperative phenomena & topological properties K Chauhan, M Schmitt, K Kremer, P Virnau, K Daoulas Bulletin of the American Physical Society, 2024 | | 2024 |
| Roadmap on Data-Centric Materials Science M Scheffler, S Bauer, P Benner, T Bereau, V Blum, M Boley, C Carbogno, ... | | 2024 |
| Roadmap on Data-Centric Materials Science S Bauer, P Benner, T Bereau, V Blum, M Boley, C Carbogno, R Catlow, ... Modelling and Simulation in Materials Science and Engineering, 2024 | | 2024 |
| Peptide Amphiphiles as Biodegradable Adjuvants for Efficient Retroviral Gene Delivery (Adv. Healthcare Mater. 4/2024) K Kaygisiz, L Rauch‐Wirth, A Iscen, J Hartenfels, K Kremer, J Münch, ... Advanced Healthcare Materials 13 (4), 2470026, 2024 | | 2024 |
| Peptide amphiphiles as biodegradable adjuvants for efficient retroviral gene delivery K Kaygisiz, L Rauch‐Wirth, A Iscen, J Hartenfels, K Kremer, J Münch, ... Advanced Healthcare Materials 13 (4), 2301364, 2024 | 1 | 2024 |
| Chilling alcohol on the computer: isothermal compressibility and the formation of hydrogen-bond clusters in liquid propan-1-ol LA Baptista, M Sevilla, M Wagner, K Kremer, R Cortes-Huerto The European Physical Journal E 46 (11), 117, 2023 | | 2023 |
| Determining glass transition in all-atom acrylic polymeric melt simulations using machine learning A Banerjee, A Iscen, K Kremer, O Kukharenko The Journal of Chemical Physics 159 (7), 2023 | 3 | 2023 |
| Glass transition temperature of (ultra-) thin polymer films HP Hsu, K Kremer The Journal of Chemical Physics 159 (7), 2023 | 4 | 2023 |
| Smart polymers for soft materials: from solution processing to organic solids D Mukherji, K Kremer Polymers 15 (15), 3229, 2023 | 5 | 2023 |
| Stabilizing α-Helicity of a Polypeptide in Aqueous Urea: Dipole Orientation or Hydrogen Bonding? LA Baptista, Y Zhao, K Kremer, D Mukherji, R Cortes-Huerto ACS Macro Letters 12 (7), 841-847, 2023 | 4 | 2023 |
| Free standing dry and stable nanoporous polymer films made through mechanical deformation HP Hsu, MK Singh, Y Cang, H Thérien‐Aubin, M Mezger, R Berger, ... Advanced Science 10 (18), 2207472, 2023 | 2 | 2023 |
| Data-driven identification and analysis of the glass transition in polymer melts A Banerjee, HP Hsu, K Kremer, O Kukharenko ACS Macro Letters 12 (6), 679-684, 2023 | 4 | 2023 |
| Molecular simulation strategies for understanding the degradation mechanisms of acrylic polymers A Iscen, NC Forero-Martinez, O Valsson, K Kremer Macromolecules 56 (9), 3272-3285, 2023 | 6 | 2023 |
| Recent advances in computational modelling of biomolecular complexes S Poblete, S Pantano, K Okazaki, Z Liang, K Kremer, AB Poma Frontiers in Chemistry 11, 1200409, 2023 | 1 | 2023 |
| Chain length and amino acid composition dependence of coil-globule transition in intrinsically disordered proteins L Baidya, K Kremer, GR Patluri Biophysical Journal 122 (3), 313a-314a, 2023 | | 2023 |
| Thermodynamic Limit in Computer Simulations via Finite-Size Integral Equations J Sevilla Moreno, R Cortes Huerto, K Kremer APS March Meeting Abstracts 2023, G62. 010, 2023 | | 2023 |
| Virtual screening for organic solar cells and light emitting diodes NC Forero‐Martinez, KH Lin, K Kremer, D Andrienko Advanced Science 9 (19), 2200825, 2022 | 13 | 2022 |
