- Scheurer, Maximilian, Rodenkirch, Peter, Siggel, Marc, Bernardi, Rafael C., Schulten, Klaus, Tajkhorshid, Emad und Rudack, Till (2018) PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.
Biophysical Journal: 114 (3), S. 577-583.
https://dx.doi.org/10.1016/j.bpj.2017.12.003 - Massarczyk, M., Rudack, Till, Schlitter, J., Kuhne, J., K?tting, C. und Gerwert, K. (2017-04-20) Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular Details.
The Journal of Physical Chemistry B: 121 (15), S. 3483-3492.
https://dx.doi.org/10.1021/acs.jpcb.6b09343 - Wehmer, Marc, Rudack, Till, Beck, Florian, Aufderheide, Antje, Pfeifer, Günter, Plitzko, Jürgen M., F?rster, Friedrich, Schulten, Klaus, Baumeister, Wolfgang und Sakata, Eri (2017-02-07) Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proceedings of the National Academy of Sciences of the USA (PNAS): 114 (6), S. 1305-1310.
https://dx.doi.org/10.1073/pnas.1621129114 - Schweitzer, Andreas, Aufderheide, Antje, Rudack, Till, Beck, Florian, Pfeifer, Günter, Plitzko, Jürgen M., Sakata, Eri, Schulten, Klaus, F?rster, Friedrich und Baumeister, Wolfgang (2016-07-12) Structure of the human 26S proteasome at a resolution of 3.9 ?.
Proceedings of the National Academy of Sciences of the USA (PNAS): 113 (28), S. 7816-7821.
https://dx.doi.org/10.1073/pnas.1608050113 - Ribeiro, Jo?o V., Bernardi, Rafael C., Rudack, Till, Stone, John E., Phillips, James C., Freddolino, Peter L. und Schulten, Klaus (2016) QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts.
Scientific Reports: 6 (1)
https://dx.doi.org/10.1038/srep26536 - Goh, Boon Chong, Hadden, Jodi A., Bernardi, Rafael C., Singharoy, Abhishek, McGreevy, Ryan, Rudack, Till, Cassidy, C. Keith und Schulten, Klaus (2016-07) Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes.
Annual Review of Biophysics: 45 (1), S. 253-278.
https://dx.doi.org/10.1146/annurev-biophys-062215-011113 - Zhang, Yi, Vukovi?, Lela, Rudack, Till, Han, Wei und Schulten, Klaus (2016) Recognition of Poly-Ubiquitins by the Proteasome through Protein Refolding Guided by Electrostatic and Hydrophobic Interactions.
The Journal of Physical Chemistry B: 120 (33), S. 8137-8146.
https://dx.doi.org/10.1021/acs.jpcb.6b01327 - Rudack, Till, Jenrich, Sarah, Brucker, Sven, Vetter, Ingrid R., Gerwert, Klaus und K?tting, Carsten (2015-10-02) Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy.
Journal of Biological Chemistry: 290 (40), S. 24079-24090.
https://dx.doi.org/10.1074/jbc.M115.648071 - Perilla, Juan R., Goh, Boon Chong, Cassidy, C. Keith, Liu, Bo, Bernardi, Rafael C., Rudack, Till, Yu, Hang, Wu, Zhe und Schulten, Klaus (2015) Molecular dynamics simulations of large macromolecular complexes.
Current Opinion in Structural Biology: 31, S. 64-74.
https://dx.doi.org/10.1016/j.sbi.2015.03.007 - Rudack, Till, Perilla, Juan und Schulten, Klaus (2014) Die Geheimnisse des Lebens berechnen.
Spektrum der Wissenschaft: (11), S. 86-95.
2025
- Hiefinger, Caroline, Zinner, Gabriel, Fürtges, Torben F., Narindoshvili, Tamari, Schindler, Sebastian, Bruckmann, Astrid, Rudack, Till, Raushel, Frank M. und Sterner, Reinhard (2025) Photocontrolling the Enantioselectivity of a Phosphotriesterase via Incorporation of a Light-Responsive Unnatural Amino Acid.
JACS Au: 5 (2), S. 858-870.
https://dx.doi.org/10.1021/jacsau.4c01106
2024
- Lahmy, Ranit, Hiefinger, Caroline, Zeqiri, Fjoralba, Mandl, Sabrina, Straub, Kristina, Stockerl, Willibald J., Gschwind, Ruth M., Rudack, Till, K?nig, Burkhard und Hupfeld, Andrea (2024) Promoting enzyme catalysis via azobenzene facilitated vibrational energy transfer.
biorxiv, S. preprint.
https://dx.doi.org/10.1101/2024.07.04.602025
2022
- Hung, Ka Ying Sharon, Klumpe, Sven, Eisele, Markus R., Elsasser, Suzanne, Tian, Geng, Sun, Shuangwu, Moroco, Jamie A., Cheng, Tat Cheung, Joshi, Tapan, Seibel, Timo, Van Dalen, Duco, Feng, Xin-Hua, Lu, Ying, Ovaa, Huib, Engen, John R., Lee, Byung-Hoon, Rudack, Till, Sakata, Eri und Finley, Daniel (2022) Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nature Communications: 13 (1), S. 1-13.
https://dx.doi.org/10.1038/s41467-022-28186-y
2021
- Rudack, Till, Teuber, Christian, Scherlo, Marvin, Güldenhaupt, J?rn, Schartner, Jonas, Lübben, Mathias, Klare, Johann P., Gerwert, Klaus und K?tting, Carsten (2021) The Ras dimer structure.
Chemical Science: 12 (23), S. 8178-8189.
https://dx.doi.org/10.1039/D1SC00957E
2020
- Acharya, Atanu, Stockmann, Julia, Beyer, Léon, Rudack, Till, Nabers, Andreas, Gumbart, James C., Gerwert, Klaus und Batista, Victor S. (2020-07-21) The Effect of (?)-Epigallocatechin-3-Gallate on the Amyloid-β Secondary Structure.
Biophysical Journal: 119 (2), S. 349-359.
https://dx.doi.org/10.1016/j.bpj.2020.05.033
2019
- Calixto, Ana R., Moreira, Cátia, Pabis, Anna, K?tting, Carsten, Gerwert, Klaus, Rudack, Till und Kamerlin, Shina C.L. (2019) GTP Hydrolysis Without an Active Site Base: A Unifying Mechanism for Ras and Related GTPases.
Journal of the American Chemical Society: 141 (27), S. 10684-10701.
https://dx.doi.org/10.1021/jacs.9b03193
2018
- Massarczyk, Matthias, Schlitter, Jürgen, K?tting, Carsten, Rudack, Till und Gerwert, Klaus (2018) Monitoring transient events in infrared spectra using local mode analysis.
Proteins: Structure, Function, and Bioinformatics: 86 (10), S. 1013-1019.
https://dx.doi.org/10.1002/prot.25536
2017
- Wehmer, Marc, Rudack, Till, Beck, Florian, Aufderheide, Antje, Pfeifer, Günter, Plitzko, Jürgen M., F?rster, Friedrich, Schulten, Klaus, Baumeister, Wolfgang und Sakata, Eri (2017-02-07) Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proceedings of the National Academy of Sciences of the USA (PNAS): 114 (6), S. 1305-1310.
https://dx.doi.org/10.1073/pnas.1621129114
2016
- Goh, Boon Chong, Hadden, Jodi A., Bernardi, Rafael C., Singharoy, Abhishek, McGreevy, Ryan, Rudack, Till, Cassidy, C. Keith und Schulten, Klaus (2016-07) Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes.
Annual Review of Biophysics: 45 (1), S. 253-278.
https://dx.doi.org/10.1146/annurev-biophys-062215-011113
2015
- Perilla, Juan R., Goh, Boon Chong, Cassidy, C. Keith, Liu, Bo, Bernardi, Rafael C., Rudack, Till, Yu, Hang, Wu, Zhe und Schulten, Klaus (2015) Molecular dynamics simulations of large macromolecular complexes.
Current Opinion in Structural Biology: 31, S. 64-74.
https://dx.doi.org/10.1016/j.sbi.2015.03.007
2014
- Rudack, Till, Perilla, Juan und Schulten, Klaus (2014) Die Geheimnisse des Lebens berechnen.
Spektrum der Wissenschaft: (11), S. 86-95.
2012
- Rudack, Till, Xia, Fei, Schlitter, Jürgen, K?tting, Carsten und Gerwert, Klaus (2012) Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations.
Proceedings of the National Academy of Sciences of the USA (PNAS): 109 (38), S. 15295-15300.
https://dx.doi.org/10.1073/pnas.1204333109
2011
- Xia, Fei, Rudack, Till, K?tting, Carsten, Schlitter, Jürgen und Gerwert, Klaus (2011) The specific vibrational modes of GTP in solution and bound to Ras: a detailed theoretical analysis by QM/MM simulations.
Physical Chemistry Chemical Physics: 13 (48), S. 21451-21460.
https://dx.doi.org/10.1039/C1CP22741F
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