Bibliography of the Universität Regensburg

Acharya, Atanu, Stockmann, Julia, Beyer, Léon, Rudack, Till, Nabers, Andreas, Gumbart, James C., Gerwert, Klaus and Batista, Victor S. (2020) The Effect of (−)-Epigallocatechin-3-Gallate on the Amyloid-β Secondary Structure. Biophysical Journal 119 (2), pp. 349-359. Fulltext not available.

Bohn, Stefan, Lo, Yat Kai, Lambertz, Jan, Meier-Credo, Jakob, Fürtges, Torben, Liauw, Pasqual, Gasper-Schönenbrücher, Raphael, Wiens, Dennis, Langer, Julian D., Hochberg, Georg, Hofmann, Eckhard, Rudack, Till , Nowazcyk, Marc M. and Schuller, Jan M. (2025) Structural insights into late-stage photosystem II assembly by Psb32. bioRXiv. (Submitted)

Drexler, Lukas, Fürtges, Torben F., Rudack, Till and Sterner, Reinhard (2025) On the Origin of Substrate Specificity of Enzymes from the Amidohydrolase Superfamily. Angewandte Chemie International Edition.

Daiß, Julia L., Pilsl, Michael, Straub, Kristina , Bleckmann, Andrea , Höcherl, Mona, Heiss, Florian B. , Abascal-Palacios, Guillermo , Ramsay, Ewan Phillip, Tlučková, Katarina, Mars, Jean-Clement, Fürtges, Torben, Bruckmann, Astrid , Rudack, Till, Bernecky, Carrie, Lamour, Valérie, Panov, Konstantin , Vannini, Alessandro , Moss, Tom and Engel, Christoph (2022) The human RNA polymerase I structure reveals an HMG-like docking domain specific to metazoans. Life Science Alliance 5 (11), e202201568.

Eisele, Markus R., Reed, Randi G., Rudack, Till, Schweitzer, Andreas, Beck, Florian, Nagy, Istvan, Pfeifer, Günter, Plitzko, Jürgen M., Baumeister, Wolfgang, Tomko, Robert J. and Sakata, Eri (2018) Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating. Cell Reports 24 (5), 1301-1315.e5. Fulltext not available.

Gupta, Tilak Kumar, Klumpe, Sven, Gries, Karin, Heinz, Steffen, Wietrzynski, Wojciech, Ohnishi, Norikazu, Niemeyer, Justus, Spaniol, Benjamin, Schaffer, Miroslava, Rast, Anna, Ostermeier, Matthias, Strauss, Mike, Plitzko, Jürgen M., Baumeister, Wolfgang, Rudack, Till, Sakamoto, Wataru, Nickelsen, Jörg, Schuller, Jan M., Schroda, Michael and Engel, Benjamin D. (2021) Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity. Cell 184 (14), 3643-3659.e23. Fulltext not available.

Guo, Qiang, Lehmer, Carina, Martínez-Sánchez, Antonio, Rudack, Till, Beck, Florian, Hartmann, Hannelore, Pérez-Berlanga, Manuela, Frottin, Frédéric, Hipp, Mark S., Hartl, F. Ulrich, Edbauer, Dieter, Baumeister, Wolfgang and Fernández-Busnadiego, Rubén (2018) In Situ Structure of Neuronal C9orf72 Poly-GA Aggregates Reveals Proteasome Recruitment. Cell 172 (4), 696-705.e12. Fulltext not available.

Goh, Boon Chong, Hadden, Jodi A., Bernardi, Rafael C., Singharoy, Abhishek, McGreevy, Ryan, Rudack, Till, Cassidy, C. Keith and Schulten, Klaus (2016) Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes. Annual Review of Biophysics 45 (1), pp. 253-278. Fulltext not available.

Güldenhaupt, Jörn, Rudack, Till, Bachler, Peter, Mann, Daniel, Triola, Gemma, Waldmann, Herbert, Kötting, Carsten and Gerwert, Klaus (2012) N-Ras Forms Dimers at POPC Membranes. Biophysical Journal 103 (7), pp. 1585-1593. Fulltext not available.

Hiefinger, Caroline, Zinner, Gabriel, Fürtges, Torben F., Narindoshvili, Tamari, Schindler, Sebastian , Bruckmann, Astrid , Rudack, Till , Raushel, Frank M. and Sterner, Reinhard (2025) Photocontrolling the Enantioselectivity of a Phosphotriesterase via Incorporation of a Light-Responsive Unnatural Amino Acid. JACS Au 5 (2), pp. 858-870.

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 and Finley, Daniel (2022) Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nature Communications 13 (1), pp. 1-13. Fulltext not available.

Liebau, Jobst, Lazzaretti, Daniela , Fürtges, Torben, Bichler, Anna, Pilsl, Michael, Rudack, Till and Sprangers, Remco (2025) 4D structural biology: quantitative dynamics in the eukaryotic RNA exosome complex. Nature Communications 16, p. 7896.

Labudda, Kristin, Norahan, Mohamad Javad, Hübner, Lisa-Marie, Althoff, Philipp, Gerwert, Klaus, Lübben, Mathias , Rudack, Till and Kötting, Carsten (2025) A second photoactivatable state of the anion-conducting channelrhodopsin GtACR1 empowers persistent activity. Communications Biology 8, p. 1183.

Lang, Julia, König, Katharina, Venn, Benedikt, Zeilfelder, Saskia, Ostermeier, Matthias, Spaniol, Benjamin, Spaniol, Lara, Sommer, Frederik, Mustas, Matthieu, Geimer, Stefan, Fürtges, Torben, Brzezowski, Pawel, Zabret, Jure, Wollman, Francis-André, Nowacyzk, Marc M, Scheuring, David, Rudack, Till , Mühlhaus, Timo, Choquet, Yves and Schroda, Michael (2025) Complexome profiling of the Chlamydomonas psb28 mutant reveals TEF5 as an early PSII assembly factor. The Plant Cell 37 (6).

Liu, Peng, Zupa, Erik, Neuner, Annett, Böhler, Anna, Loerke, Justus, Flemming, Dirk, Ruppert, Thomas, Rudack, Till, Peter, Christoph, Spahn, Christian, Gruss, Oliver J., Pfeffer, Stefan and Schiebel, Elmar (2019) Insights into the assembly and activation of the microtubule nucleator γ-TuRC. Nature 578 (7795), pp. 467-471. Fulltext not available.

Li, Wenjin, Rudack, Till, Gerwert, Klaus, Gräter, Frauke and Schlitter, Jürgen (2012) Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics. Journal of Chemical Theory and Computation 8 (10), pp. 3596-3604. Fulltext not available.

Majumder, Parijat, Rudack, Till, Beck, Florian, Danev, Radostin, Pfeifer, Günter, Nagy, István and Baumeister, Wolfgang (2018) Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle. Proceedings of the National Academy of Sciences of the USA (PNAS) 116 (2), pp. 534-539. Fulltext not available.

Melo, Marcelo C. R., Bernardi, Rafael C., Rudack, Till, Scheurer, Maximilian, Riplinger, Christoph, Phillips, James C., Maia, Julio D. C., Rocha, Gerd B., Ribeiro, João V., Stone, John E., Neese, Frank, Schulten, Klaus and Luthey-Schulten, Zaida (2018) NAMD goes quantum: an integrative suite for hybrid simulations. Nature Methods 15 (5), pp. 351-354. Fulltext not available.

Massarczyk, M., Rudack, Till, Schlitter, J., Kuhne, J., Kötting, C. and Gerwert, K. (2017) Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular Details. The Journal of Physical Chemistry B 121 (15), pp. 3483-3492. Fulltext not available.

Perilla, Juan R., Goh, Boon Chong, Cassidy, C. Keith, Liu, Bo, Bernardi, Rafael C., Rudack, Till, Yu, Hang, Wu, Zhe and Schulten, Klaus (2015) Molecular dynamics simulations of large macromolecular complexes. Current Opinion in Structural Biology 31, pp. 64-74. Fulltext not available.

Rudack, Till and Lang, Yannik (2025) Data set of publication "Structural remodeling of the mitochondrial protein 1 biogenesis machinery under proteostatic stress". [Dataset]

Rudack, Till and Scherlo, Marvin (2025) Data Set of Publication "IR Spectroscopy: from Experimental Spectra to High-Resolution Structural Analysis by Integrating Simulations and Machine Learning". [Dataset]

Rudack, Till and Scherlo, Marvin (2025) Data Set of Publication Replacement of a single residue in an antibody abolishes cognate antigen binding, as predicted by theoretical methods. [Dataset]

Rudack, Till and Fürtges, Torben (2025) Data set of publication 4D structural biology: quantitative dynamics in the eukaryotic RNA exosome 2 complex. [Dataset]

Ribeiro, João V., Bernardi, Rafael C., Rudack, Till, Stone, John E., Phillips, James C., Freddolino, Peter L. and Schulten, Klaus (2016) QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts. Scientific Reports 6 (1). Fulltext not available.

Rudack, Till, Perilla, Juan and Schulten, Klaus (2014) Die Geheimnisse des Lebens berechnen. Spektrum der Wissenschaft (11), pp. 86-95. Fulltext not available.

Rudack, Till, Xia, Fei, Schlitter, Jürgen, Kötting, Carsten and 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), pp. 15295-15300. Fulltext not available.

Rudack, Till, Xia, Fei, Schlitter, Jürgen, Kötting, Carsten and Gerwert, Klaus (2012) The Role of Magnesium for Geometry and Charge in GTP Hydrolysis, Revealed by Quantum Mechanics/Molecular Mechanics Simulations. Biophysical Journal 103 (2), pp. 293-302. Fulltext not available.

Scherlo, Marvin, Phillips, Dominic, Künne, Ricarda, Ippoliti, Emiliano, Gerwert, Klaus, Kötting, Carsten, Carloni, Paolo, Mey, Antonia S.J.S. and Rudack, Till (2025) IR spectroscopy: from experimental spectra to high-resolution structural analysis by integrating simulations and machine learning. bioRXiv. (Submitted) Fulltext not available.

Scherlo, Marvin, Höveler, Adrian, Mann, Marvin, Gerwert, Grischa, Güldenhaupt, Jörn, Gerwert, Klaus, Rudack, Till and Kötting, Carsten (2025) Replacement of a single residue in an antibody completely abolishes cognate antigen binding, as predicted by theoretical methods. bioRXiv. (Submitted) Fulltext not available.

Scheurer, Maximilian, Rodenkirch, Peter, Siggel, Marc, Bernardi, Rafael C., Schulten, Klaus, Tajkhorshid, Emad and Rudack, Till (2018) PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations. Biophysical Journal 114 (3), pp. 577-583. Fulltext not available.

Schweitzer, Andreas, Aufderheide, Antje, Rudack, Till, Beck, Florian, Pfeifer, Günter, Plitzko, Jürgen M., Sakata, Eri, Schulten, Klaus, Förster, Friedrich and Baumeister, Wolfgang (2016) Structure of the human 26S proteasome at a resolution of 3.9 Å. Proceedings of the National Academy of Sciences of the USA (PNAS) 113 (28), pp. 7816-7821. Fulltext not available.

Wehmer, Marc, Rudack, Till, Beck, Florian, Aufderheide, Antje, Pfeifer, Günter, Plitzko, Jürgen M., Förster, Friedrich, Schulten, Klaus, Baumeister, Wolfgang and Sakata, Eri (2017) 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), pp. 1305-1310. Fulltext not available.

Xia, Fei, Rudack, Till, Cui, Qiang, Kötting, Carsten and Gerwert, Klaus (2012) Detailed Structure of the H2PO4––Guanosine Diphosphate Intermediate in Ras-GAP Decoded from FTIR Experiments by Biomolecular Simulations. Journal of the American Chemical Society 134 (49), pp. 20041-20044. Fulltext not available.

Xia, Fei, Rudack, Till, Kötting, Carsten, Schlitter, Jürgen and 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), pp. 21451-21460. Fulltext not available.

Zhang, Yi, Vuković, Lela, Rudack, Till, Han, Wei and 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), pp. 8137-8146. Fulltext not available.