| Surface controlled mechanism of water boiling for nuclear reactor fuel assembly
Mokos, A., Patel, R. A., Karalis, K., Churakov, S. V., & Prasianakis, N. I. (2024). Surface controlled mechanism of water boiling for nuclear reactor fuel assembly. International Journal of Heat and Mass Transfer, 230, 125747 (15 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2024.125747 |
| Aliovalent substitution in Li<sub>3</sub>InCl<sub>6</sub>: a combined experimental and computational investigation of structure and ion diffusion in lithium-halide solid state electrolytes
Rosa, C., Ravalli, M., Pianta, N., Mustarelli, P., Ferrara, C., Quartarone, E., … Tealdi, C. (2024). Aliovalent substitution in Li3InCl6: a combined experimental and computational investigation of structure and ion diffusion in lithium-halide solid state electrolytes. ACS Applied Energy Materials, 7(10), 4314-4323. https://doi.org/10.1021/acsaem.4c00065 |
| Phase separation and aggregation of α-synuclein diverge at different salt conditions
Sternke-Hoffmann, R., Sun, X., Menzel, A., Pinto, M. D. S., Venclovaite, U., Wördehoff, M., … Luo, J. (2024). Phase separation and aggregation of α-synuclein diverge at different salt conditions. Advanced Science, 2308279 (15 pp.). https://doi.org/10.1002/advs.202308279 |
| Atomic cluster dynamics causes intermittent aging of metallic glasses
Wang, Z., Riechers, B., Derlet, P. M., & Maaß, R. (2024). Atomic cluster dynamics causes intermittent aging of metallic glasses. Acta Materialia, 267, 119730 (9 pp.). https://doi.org/10.1016/j.actamat.2024.119730 |
| Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation
Alvarez, H. A., Cousido-Siah, A., Espinosa, Y. R., Podjarny, A., Carlevaro, C. M., & Howard, E. (2023). Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation. Proteins, 91(11), 1525-1534. https://doi.org/10.1002/prot.26546 |
| Structure-based design of inhibitors of the m<sup>6</sup>A-RNA writer enzyme METTL3
Bedi, R. K., Huang, D., Li, Y., & Caflisch, A. (2023). Structure-based design of inhibitors of the m6A-RNA writer enzyme METTL3. ACS Bio & Med Chem Au, 3(4), 359-370. https://doi.org/10.1021/acsbiomedchemau.3c00023 |
| N‐terminal β‐strand in YAP is critical for stronger binding to scalloped relative to TEAD transcription factor
Fedir, B., Yannick, M., Marco, M., Patrizia, F., Catherine, Z., Frédéric, V., … Patrick, C. (2023). N‐terminal β‐strand in YAP is critical for stronger binding to scalloped relative to TEAD transcription factor. Protein Science, 32(1), e4545 (13 pp.). https://doi.org/10.1002/pro.4545 |
| Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer’s disease drug candidate
Nemergut, M., Marques, S. M., Uhrik, L., Vanova, T., Nezvedova, M., Gadara, D. C., … Marek, M. (2023). Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer’s disease drug candidate. Molecular Neurodegeneration, 18(1), 38 (25 pp.). https://doi.org/10.1186/s13024-023-00620-9 |
| Combined theoretical and experimental study of the Moiré dislocation network at the SrTiO<sub>3</sub>-(La,Sr)(Al,Ta)O<sub>3</sub> interface
Ricca, C., Skoropata, E., Rossell, M. D., Erni, R., Staub, U., & Aschauer, U. (2023). Combined theoretical and experimental study of the Moiré dislocation network at the SrTiO3-(La,Sr)(Al,Ta)O3 interface. ACS Applied Materials and Interfaces, 15(46), 53678-53687. https://doi.org/10.1021/acsami.3c10958 |
| Nanomechanical modeling of the bending response of silicon nanowires
Zare Pakzad, S., Nasr Esfahani, M., Tasdemir, Z., Wollschläger, N., Li, T., Li, X. F., … Alaca, B. E. (2023). Nanomechanical modeling of the bending response of silicon nanowires. ACS Applied Nano Materials, 6(17), 15465-15478. https://doi.org/10.1021/acsanm.3c02077 |
| Structure-based design of ligands of the m<sup>6</sup>A-RNA reader YTHDC1
Li, Y., Bedi, R. K., Nai, F., von Roten, V., Dolbois, A., Zálešák, F., … Caflisch, A. (2022). Structure-based design of ligands of the m6A-RNA reader YTHDC1. European Journal of Medicinal Chemistry Reports, 5, 100057 (11 pp.). https://doi.org/10.1016/j.ejmcr.2022.100057 |
| Effect of native oxide on stress in silicon nanowires: implications for nanoelectromechanical systems
Nasr Esfahani, M., Zare Pakzad, S., Li, T., Li, X. F., Tasdemir, Z., Wollschläger, N., … Alaca, B. E. (2022). Effect of native oxide on stress in silicon nanowires: implications for nanoelectromechanical systems. ACS Applied Nano Materials, 5(9), 13276-13285. https://doi.org/10.1021/acsanm.2c02983 |
| Micro-plasticity in a fragile model binary glass
Derlet, P. M., & Maaß, R. (2021). Micro-plasticity in a fragile model binary glass. Acta Materialia, 209, 116771 (12 pp.). https://doi.org/10.1016/j.actamat.2021.116771 |
| Dynamics in an unusual acyl carrier protein from a ladderane lipid-synthesizing organism
Dietl, A., & Barends, T. R. M. (2021). Dynamics in an unusual acyl carrier protein from a ladderane lipid-synthesizing organism. Proteins, 90(1), 73-82. https://doi.org/10.1002/prot.26187 |
| Controlling protein crystallization by free energy guided design of interactions at crystal contacts
Hermann, J., Bischoff, D., Grob, P., Janowski, R., Hekmat, D., Niessing, D., … Weuster-Botz, D. (2021). Controlling protein crystallization by free energy guided design of interactions at crystal contacts. Crystals, 11(6), 588 (18 pp.). https://doi.org/10.3390/cryst11060588 |
| Biochemical, structural and dynamical studies reveal strong differences in the thermal-dependent allosteric behavior of two extremophilic lactate dehydrogenases
Iorio, A., Roche, J., Engilberge, S., Coquelle, N., Girard, E., Sterpone, F., & Madern, D. (2021). Biochemical, structural and dynamical studies reveal strong differences in the thermal-dependent allosteric behavior of two extremophilic lactate dehydrogenases. Journal of Structural Biology, 213(3), 107769 (11 pp.). https://doi.org/10.1016/j.jsb.2021.107769 |
| On the nature of Pb species in Pb-exchanged zeolite stellerite (STI): a combined experimental and theoretical study
Roos, D. P., Scheinost, A. C., Churakov, S. V., Nagashima, M., & Cametti, G. (2021). On the nature of Pb species in Pb-exchanged zeolite stellerite (STI): a combined experimental and theoretical study. Microporous and Mesoporous Materials, 327, 111444 (8 pp.). https://doi.org/10.1016/j.micromeso.2021.111444 |
| Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
Dolbois, A., Batiste, L., Wiedmer, L., Dong, J., Brütsch, M., Huang, D., … Caflisch, A. (2020). Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers. ACS Medicinal Chemistry Letters, 11(8), 1573-1580. https://doi.org/10.1021/acsmedchemlett.0c00080 |
| Structure and molecular recognition mechanism of IMP-13 metallo-β-lactamase
Softley, C. A., Zak, K. M., Bostock, M. J., Fino, R., Zhou, R. X., Kolonko, M., … Popowicz, G. M. (2020). Structure and molecular recognition mechanism of IMP-13 metallo-β-lactamase. Antimicrobial Agents and Chemotherapy, 64(6), e00123-20 (20 pp.). https://doi.org/10.1128/AAC.00123-20 |
| Hot branching dynamics in a light-harvesting iron carbene complex revealed by ultrafast X-ray emission spectroscopy
Tatsuno, H., Kjær, K. S., Kunnus, K., Harlang, T. C. B., Timm, C., Guo, M., … Uhlig, J. (2020). Hot branching dynamics in a light-harvesting iron carbene complex revealed by ultrafast X-ray emission spectroscopy. Angewandte Chemie International Edition, 59(1), 364-372. https://doi.org/10.1002/anie.201908065 |
