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Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains
Abrami, L., Audagnotto, M., Ho, S., Marcaida, M. J., Mesquita, F. S., Anwar, M. U., … van der Goot, F. G. (2021). Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains. Nature Chemical Biology, 17(4), 438-447. https://doi.org/10.1038/s41589-021-00753-2
Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials
Accaputo, G., Derlet, P. M., & Arbenz, P. (2021). Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials. In T. Kozubek, P. Arbenz, J. Jaroš, L. Říha, J. Šístek, & P. Tichý (Eds.), Lecture notes in computer science: Vol. 12456. High performance computing in science and engineering. 4th international conference, HPCSE 2019, Karolinka, Czech Republic, May 20-23, 2019, revised selected papers (pp. 80-98). https://doi.org/10.1007/978-3-030-67077-1_5
Anharmonic effects on the dynamics of solid aluminium from <em>ab initio</em> simulations
Adams, D. J., Wang, L., Steinle-Neumann, G., Passerone, D., & Churakov, S. V. (2021). Anharmonic effects on the dynamics of solid aluminium from ab initio simulations. Journal of Physics: Condensed Matter, 33(17), 175501 (8 pp.). https://doi.org/10.1088/1361-648X/abc972
Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases
Akaki, T., Bessho, Y., Ito, T., Fujioka, S., Ubukata, M., Mori, G., … Adachi, T. (2021). Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorganic and Medicinal Chemistry, 44, 116283 (15 pp.). https://doi.org/10.1016/j.bmc.2021.116283
An approach for estimating dosimetric uncertainties in deformable dose accumulation in pencil beam scanning proton therapy for lung cancer
Amstutz, F., Nenoff, L., Albertini, F., Ribeiro, C. O., Knopf, A. C., Unkelbach, J., … Zhang, Y. (2021). An approach for estimating dosimetric uncertainties in deformable dose accumulation in pencil beam scanning proton therapy for lung cancer. Physics in Medicine and Biology, 66(10), 105007 (12 pp.). https://doi.org/10.1088/1361-6560/abf8f5
Anatomy and development of the respiratory system
Anagnostopoulou, P., & Schittny, J. C. (2021). Anatomy and development of the respiratory system. In E. Ebner & F. Midulla (Eds.), ERS handbook of paediatric respiratory medicine (p. (13 pp.). https://doi.org/10.1183/9781849841313.002119
<em>In situ</em> investigation of temperature induced agglomeration in non-polar magnetic nanoparticle dispersions by small angle X-ray scattering
Appel, C., Kuttich, B., Kraus, T., & Stühn, B. (2021). In situ investigation of temperature induced agglomeration in non-polar magnetic nanoparticle dispersions by small angle X-ray scattering. Nanoscale, 13(14), 6916-6920. https://doi.org/10.1039/d0nr08434d
Modeling and experiment for oxygen isotope exchange over copper-containing mordenite
Artsiusheuski, M. A., van Bokhoven, J. A., & Sushkevich, V. L. (2021). Modeling and experiment for oxygen isotope exchange over copper-containing mordenite. Journal of Physical Chemistry C, 125(22), 12366-12373. https://doi.org/10.1021/acs.jpcc.1c02531
High yields of aromatic monomers from acidolytic oxidation of Kraft lignin in a biphasic system
Arturi, K., Rohrbach, T., Vogel, F., & Bjelić, S. (2021). High yields of aromatic monomers from acidolytic oxidation of Kraft lignin in a biphasic system. Industrial and Engineering Chemistry Research, 60(30), 11009-11018. https://doi.org/10.1021/acs.iecr.1c01776
The Mu3e data acquisition
Augustin, H., Berger, N., Bravar, A., Briggl, K., Chen, H., Corrodi, S., … Zhong, T. (2021). The Mu3e data acquisition. IEEE Transactions on Nuclear Science, 68(8), 1833-1840. https://doi.org/10.1109/TNS.2021.3084060
Imaging neutron capture cross sections: i-TED proof-of-concept and future prospects based on Machine-Learning techniques
Babiano-Suárez, V., Lerendegui-Marco, J., Balibrea-Correa, J., Caballero, L., Calvo, D., Ladarescu, I., … Žugec, P. (2021). Imaging neutron capture cross sections: i-TED proof-of-concept and future prospects based on Machine-Learning techniques. European Physical Journal A: Hadrons and Nuclei, 57(6), 197 (17 pp.). https://doi.org/10.1140/epja/s10050-021-00507-7
Femtosecond X-ray spectroscopy of haem proteins
Bacellar, C., Kinschel, D., Cannelli, O., Sorokin, B., Katayama, T., Mancini, G. F., … Chergui, M. (2021). Femtosecond X-ray spectroscopy of haem proteins. Faraday Discussions, 228, 312-328. https://doi.org/10.1039/d0fd00131g
Mechanisms of regulation and diverse activities of tau-tubulin kinase (TTBK) isoforms
Bao, C., Bajrami, B., Marcotte, D. J., Chodaparambil, J. V., Kerns, H. M., Henderson, J., … Dillon, G. M. (2021). Mechanisms of regulation and diverse activities of tau-tubulin kinase (TTBK) isoforms. Cellular and Molecular Neurobiology, 41, 669-685. https://doi.org/10.1007/s10571-020-00875-6
The effect of pH, Ca/Si ratio and equilibration time on Al uptake in calcium silicate hydrates (C-S-H)
Barzgar, S., Lothenbach, B., Tarik, M., & Ludwig, C. (2021). The effect of pH, Ca/Si ratio and equilibration time on Al uptake in calcium silicate hydrates (C-S-H). In B. L. A. Pichler, P. J. McDonald, B. Lothenbach, K. Scrivener, V. Bortolotti, & M. Ben Haha (Eds.), ERICA CASH II final conference (pp. 45-46). Technische Universität Wien.
Structure-based design of high-affinity macrocyclic FKBP51 inhibitors
Bauder, M., Meyners, C., Purder, P. L., Merz, S., Sugiarto, W. O., Voll, A. M., … Hausch, F. (2021). Structure-based design of high-affinity macrocyclic FKBP51 inhibitors. Journal of Medicinal Chemistry, 64(6), 3320-3349. https://doi.org/10.1021/acs.jmedchem.0c02195
Following the structure of copper-zinc-alumina across the pressure gap in carbon dioxide hydrogenation
Beck, A., Zabilskiy, M., Newton, M. A., Safonova, O., Willinger, M. G., & van Bokhoven, J. A. (2021). Following the structure of copper-zinc-alumina across the pressure gap in carbon dioxide hydrogenation. Nature Catalysis, 4(6), 488-497. https://doi.org/10.1038/s41929-021-00625-x
&lt;em&gt;In vitro&lt;/em&gt; reconstitution of a five-step pathway for bacterial ergothioneine catabolism
Beliaeva, M. A., Leisinger, F., & Seebeck, F. P. (2021). In vitro reconstitution of a five-step pathway for bacterial ergothioneine catabolism. ACS Chemical Biology, 16(2), 397-403. https://doi.org/10.1021/acschembio.0c00968
Tethered agonist exposure in intact adhesion/class B2 GPCRs through intrinsic structural flexibility of the GAIN domain
Beliu, G., Altrichter, S., Guixà-González, R., Hemberger, M., Brauer, I., Dahse, A. K., … Langenhan, T. (2021). Tethered agonist exposure in intact adhesion/class B2 GPCRs through intrinsic structural flexibility of the GAIN domain. Molecular Cell, 81(5), 905-921.e5. https://doi.org/10.1016/j.molcel.2020.12.042
Novel β-Glucocerebrosidase activators that bind to a new pocket at a dimer interface and induce dimerization
Benz, J., Rufer, A. C., Huber, S., Ehler, A., Hug, M., Topp, A., … Rodríguez Sarmiento, R. M. (2021). Novel β-Glucocerebrosidase activators that bind to a new pocket at a dimer interface and induce dimerization. Angewandte Chemie International Edition, 60(10), 5436-5442. https://doi.org/10.1002/anie.202013890
Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2
Berger, B. T., Amaral, M., Kokh, D. B., Nunes-Alves, A., Musil, D., Heinrich, T., … Knapp, S. (2021). Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chemical Biology, 28(5), 686-698. https://doi.org/10.1016/j.chembiol.2021.01.003
 

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