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Larke, M. S. C.; Schwessinger, R.; Nojima, T.; Telenius, J.; Beagrie, R. A.; Downes, D. J.; Oudelaar, A. M.; Truch, J.; Graham, B.; Bender, M. A. et al.; Proudfoot, N. J.; Higgs, D. R.; Hughes, J. R.: Enhancers predominantly regulate gene expression during differentiation via transcription initiation. Molecular Cell, In Press (2021)

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Valpadashi, A.; Callegari, S.; Linden, A.; Neumann, P.; Ficner, R.; Urlaub, H.; Deckers, M.; Rehling, P.: Defining the architecture of the human TIM22 complex by chemical crosslinking. FEBS Letters 595 (2), S. 157 - 168 (2021)

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Downes, D. J.; Beagrie, R. A.; Gosden, M. E.; Telenius, J.; Carpenter, S. J.; Nussbaum, L.; Ornellas, S. D.; Sergeant, M.; Eijsbouts, C. Q.; Schwessinger, R. et al.; Kerry, J.; Roberts, N.; Shivalingam, A.; El-Sagheer, A.; Oudelaar, A. M.; Brown, T.; Buckle, V. J.; Davies, J. O. J.; Hughes, J. R.: High-resolution targeted 3C interrogation of cis-regulatory element organization at genome-wide scale. Nature Communications 12, 531(2021) (2021)

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Lau, J. A.; Chen, L.; Choudhury, A.; Schwarzer, D.; Verma, V. B.; Wodtke, A. M.: Transporting and concentrating vibrational energy to promote isomerization. Nature 589 (7842), S. 391 - 395 (2021)

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Endres, T.; Solvie, D.; Heidelberger, J. B.; Andriolett, V.; Baluapuri, A.; Ade, C. P.; Muhar, M.; Eilers, U.; Vos, S. M.; Cramer, P. et al.; Zuber, J.; Beli, P.; Popov, N.; Wolf, E.; Gallant, P.; Eilers, M.: Ubiquitylation of MYC couples transcription elongation with double-strand break repair at active promoters. Molecular Cell, In Press (2021)

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Zhang, S.; Aibara, S.; Vos, S. M.; Agafonov, D.; Lührmann, R.; Cramer, P.: Structure of a transcribing RNA polymerase II–U1 snRNP complex. Science 371 (6526), S. 305 - 309 (2021)

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Zhao, B.; Katuwawala, A.; Oldfield, C. J.; Dunker, A. K.; Faraggi, E.; Gsponer, J.; Kloczkowski, A.; Malhis, N.; Mirdita, M.; Obradovic, Z. et al.; Soding, J.; Steinegger, M.; Zhou, Y.; Kurgan, L.: DescribePROT: database of amino acid-level protein structure and function predictions. Nucleic Acids Research 49 (D1), S. D298 - D308 (2021)

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Lapolla, A.; Godec, A.: BetheSF: Efficient computation of the exact tagged-particle propagator in single-file systems via the Bethe eigenspectrum. Computer Physics Communications 258, 107569 (2021)

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Lykke-Andersen, S.; Zumer, K.; Molska, E. Š.; Rouvière, J. O.; Wu, G.; Demel, C.; Schwalb, B.; Schmid, M.; Cramer, P.; Jensen, T. H.: Integrator is a genome-wide attenuator of non-productive transcription. Molecular Cell, in Press (2020)

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Bonekamp, N. A.; Peter, B.; Hillen, H. S.; Felser, A.; Bergbrede, T.; Choidas, A.; Horn, M.; Unger, A.; Di Lucrezia, R.; Atanassov, I. et al.; Li, X.; Koch, U.; Menninger, S.; Boros, J.; Habenberger, P.; Giavalisco, P.; Cramer, P.; Denzel, M. S.; Nussbaumer, P.; Klebl, B.; Falkenberg, M.; Gustafsson, C. M.; Larsson, N.-G.: Small-molecule inhibitors of human mitochondrial DNA transcription. Nature 588 (7839), S. 712 - 716 (2020)

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Daday, C.; de Groot, B. L.: Lipid–protein forces predict conformational changes in a mechanosensitive channel. European Biophysics Journal, In Press (2020)

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Bucevicius, J.; Gilat, T.; Lukinavicius, G.: Far-red switching DNA probes for live cell nanoscopy. Chemical Communications 56 (94), S. 14797 - 14800 (2020)

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Lapolla, A.; Hartich, D.; Godec, A.: Spectral theory of fluctuations in time-average statistical mechanics of reversible and driven systems. Physical Review Research 2 (4), 043084 (2020)

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Netz, E.; Dijkstra, T. M. H.; Sachsenberg, T.; Zimmermann, L.; Walzer, M.; Monecke, T.; Ficner, R.; Dybkov, O.; Urlaub, H.; Kohlbacher, O.: OpenPepXL: An open-source tool for sensitive identification of cross-linked peptides in XL-MS. Molecular and Cellular Proteomics 19 (12), S. 2157 - 2167 (2020)

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Oudelaar, A. M.; Higgs, D. R.: The relationship between genome structure and function. Nature Reviews Genetics, In Press (2020)

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Lapolla, A.; Godec, A.: Single-file diffusion in a bi-stable potential: Signatures of memory in the barrier-crossing of a tagged-particle. The Journal of Chemical Physics 153 (19), 194104 (2020)

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Borodin, D.; Golibrzuch, K.; Schwarzer, M.; Fingerhut, J.; Skoulatakis, G.; Schwarzer, D.; Seelemann, T.; Wodtke, A. M.: Measuring transient reaction rates from nonstationary catalysts. ACS Catalysis 10 (23), S. 14056 - 14066 (2020)

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Wu, X.; Ganzella, M.; Zhou, J.; Zhu, S.; Jahn, R.; Zhang, M.: Vesicle tethering on the surface of phase-separated active zone condensates. Molecular Cell, In Press (2020)

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Bubnis, G.; Grubmüller, H.: Sequential water and headgroup merger: Membrane poration paths and energetics from MD simulations. Biophysical Journal, In Press (2020)

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Kohnke, B.; Kutzner, C.; Grubmüller, H.: A GPU-accelerated fast multipole method for GROMACS: Performance and accuracy. Journal of Chemical Theory and Computation 16 (11), S. 6938 - 6949 (2020)

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Yip, K. M.; Fischer, N.; Paknia, E.; Chari, A.; Stark, H.: Atomic-resolution protein structure determination by cryo-EM. Nature 587 (7832), S. 157 - 161 (2020)

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Leitner, A.; Bonvin, A. M. J. J.; Borchers, C. H.; Chalkley, R. J.; Chamot-Rooke, J.; Combe, C. W.; Cox, J.; Dong, M.-Q.; Fischer, L.; Götze, M. et al.; Gozzo, F. C.; Heck, A. J. R.; Hoopmann, M. R.; Huang, L.; Ishihama, Y.; Jones, A. R.; Kalisman, N.; Kohlbacher, O.; Mechtler, K.; Moritz, R. L.; Netz, E.; Novak, P.; Petrotchenko, E.; Sali, A.; Scheltema, R. A.; Schmidt, C.; Schriemer, D.; Sinz, A.; Sobott, F.; Stengel, F.; Thalassinos, K.; Urlaub, H.; Viner, R.; Vizcaíno, J. A.; Wilkins, M. R.; Rappsilber, J.: Toward increased reliability, transparency, and accessibility in cross-linking mass spectrometry. Structure 28 (11), S. 1259 - 1268 (2020)

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Rabe von Pappenheim, F.; Aldeghi, M.; Shome, B.; Begley, T.; de Groot, B. L.; Tittmann, K.: Structural basis for antibiotic action of the B1 antivitamin 2′-methoxy-thiamine. Nature Chemical Biology 16 (11), S. 1237-1245 (2020)

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Korchak, S.; Jagtap, A.; Glöggler, S.: Signal-enhanced real-time magnetic resonance of enzymatic reactions at millitesla fields. Chemical Science, In Press (2020)

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Geweke, J.; Wodtke, A. M.: Vibrationally inelastic scattering of HCl from Ag(111). Journal of Chemical Physics 153 (16), 164703 (2020)

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Liutkute, M.; Maiti, M.; Samatova, E. N.; Enderlein, J.; Rodnina, M. V.: Gradual compaction of nascent peptide during cotranslational folding on the ribosome. eLife 9, e60895 (2020)

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Reinhardt, M.; Grubmüller, H.: GROMACS implementation of free energy calculations with non-pairwise variationally derived intermediates. arXiv, 2010.14193 (2020)

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Fish, K.; Comoglio, F.; Shaffer, A. L.; Jia, Y.; Pan, K. T.; Scheich, S.; Oellerich, A.; Doebele, C.; Ikeda, M.; Schaller, S. J. et al.; Nguyen, H.; Muppidi, J.; Wright, G. W.; Urlaub, H.; Serve, H.; Staudtd, L. M.; Longnecker, R.; Oellerich, T.: Rewiring of B cell receptor signaling by Epstein–Barr virus LMP2A. Proceedings of the National Academy of Sciences of the USA 117 (42), S. 26318 - 26327 (2020)

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Liess, A. K. L.; Kucerova, A.; Schweimer, K.; Schlesinger, D.; Dybkov, O.; Urlaub, H.; Mansfeld, J.; Lorenz, S.: Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S. Science Signaling 13 (654), eaba8208 (2020)

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Lau, J. A.; Schönemann, A.-M.; Schwarzer, D.; Wodtke, A. M.: The coverage dependence of the infrared absorption of CO adsorbed to NaCI(100). The Journal of Chemical Physics 153 (15), 154703 (2020)

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Stützer, A.; Welp, L.; Raabe, M.; Sachsenberg, T.; Kappert, C.; Wulf, A.; Lau, A. M.; David, S.-S.; Chernev, A.; Kramer, K. et al.; Politis, A.; Kohlbacher, O.; Fischle, W.; Urlaub, H.: Analysis of protein-DNA interactions in chromatin by UV induced cross-linking and mass spectrometry. Nature Communications 11, 5250 (2020)

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Kohnke, B.; Kutzner, C.; Beckmann, A.; Lube, G.; Kabadshow, I.; Dachsel, H.; Grubmüller, H.: A CUDA fast multipole method with highly efficient M2L farfield evaluationfield evaluation. The International Journal of High Performance Computing Applications, In Press (2020)

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Osman, S.; Cramer, P.: Structural biology of RNA polymerase II transcription: 20 years on. Annual Review of Cell and Developmental Biology 36, S. 1 - 34 (2020)

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35.

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Bertram, K.; El Ayoubi, L.; Dybkov, O.; Agafonov, D.; Will, C. L.; Hartmuth, K.; Urlaub, H.; Kastner, B.; Stark, H.; Lührmann, R.: Structural insights into the roles of metazoan-specific splicing factors in the human step 1 spliceosome. Molecular Cell 80 (1), S. 127 - 139.e6 (2020)

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Reinhardt, M.; Grubmüller, H.: Variationally derived intermediates for correlated free-energy estimates between intermediate states. Physical Review E 102 (4), 043312 (2020)

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Borodin, D.; Rahinov, I.; Shirhatti, P. R.; Huang, M.; Kandratsenka, A.; Auerbach, D. J.; Zhong, T.; Guo, H.; Schwarzer, D.; Kitsopoulos, T. N. et al.; Wodtke, A. M.: Following the microscopic pathway to adsorption through chemisorption and physisorption wells. Science 369 (6510), S. 1461 - 1465 (2020)

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Erijman, A.; Kozlowski, L.; Sohrabi-Jahromi, S.; Fishburn, J.; Warfield, L.; Schreiber, J.; Noble, W. S.; Söding, J.; Hahn, S.: A high-throughput screen for transcription activation domains reveals their sequence features and permits prediction by deep learning (Correction). Molecular Cell 79 (6), S. 1066 (2020)

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Lapolla, A.; Godec, A.: Faster uphill relaxation in thermodynamically equidistant temperature quenches. Physical Review Letters 125 (11), 110602 (2020)

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Gapsys, V.; de Groot, B. L.: On the importance of statistics in molecular simulations for thermodynamics, kinetics and simulation box size. eLife 9, e57589 (2020)

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Wille, S.; Jiang, H.; Bünermann, O.; Wodtke, A. M.; Behler, J.; Kandratsenka, A.: An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality. Physical Chemistry Chemical Physics, In Press (2020)

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Igaev, M.; Grubmüller, H.: Microtubule instability driven by longitudinal and lateral strain propagation. PLoS Computational Biology 16 (9), e1008132 (2020)

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Langan, P. S.; Vandavasi, V. G.; Kopec, W.; Sullivan, B.; Afonne, P. V.; Weiss, K. L.; de Groot, B. L.; Coates, L.: The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation. IUCrJ 7 (5), S. 835 - 843 (2020)

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Maier, K. C.; Gressel, S.; Cramer, P.; Schwalb, B.: Native molecule sequencing by nano-ID reveals synthesis and stability of RNA isoforms. Genome Research 30 (9), S. 1332 - 1344 (2020)

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Mamone, S.; Schmidt, A. B.; Schwaderlapp, N.; Lange, T.; Elverfeldt, D. v.; Hennig, J.; Glöggler, S.: Localized singlet-filtered MRS in vivo. NMR in Biomedicine, e4400; In Press (2020)

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Menzel, J.; Kownatzki-Danger, D.; Tokar, S.; Ballone, A.; Unthan-Fechner, K.; Kilisch, M.; Lenz, C.; Urlaub, H.; Mori, M.; Ottmann, C. et al.; Shattock, M. J.; Lehnart, S. E.; Schwappach, B.: 14-3-3 binding creates a memory of kinase action by stabilizing the modified state of phospholamban. Science Signaling 13 (647), eaaz1436 (2020)

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Nagy, G.; Grubmueller, H.: How accurate is circular dichroism-based model validation? European Biophysics Journal 49 (6), S. 497 - 510 (2020)

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Schubeis, T.; Le Marchand, T.; Daday, C.; Kopec, W.; Tekwani Movellan, K.; Stanek, J.; Schwarzer, T. S.; Castiglione, K.; de Groot, B. L.; Pintacuda, G. et al.; Andreas, L. B.: A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL. Proceedings of the National Academy of Sciences of the United States of America 117 (35), S. 21014 - 21021 (2020)

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Galparsoro, O.; Kaufmann, S.; Auerbach, D. J.; Kandratsenka, A.; Wodtke, A. M.: First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111). Physical Chemistry Chemical Physics 22 (31), S. 17532 - 17539 (2020)

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Pape, J. K.; Stephan, T.; Balzarotti, F.; Büchner, R.; Lange, F.; Riedel, D.; Jakobs, S.; Hell, S. W.: Multicolor 3D MINFLUX nanoscopy of mitochondrial MICOS proteins. Proceedings of the National Academy of Sciences of the USA 117 (34), S. 20607 - 20614 (2020)

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Cramer, P.: Rosalind Franklin and the advent of molecular biology. Cell 182 (4), S. 787 - 789 (2020)

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Tellier, M.; Zaborowska, J.; Caizzi, L.; Mohammad, E.; Velychko, T.; Schwalb, B.; Ferrer-Vicens, I.; Blears, D.; Nojima, T.; Cramer, P. et al.; Murphy, S.: CDK12 globally stimulates RNA polymerase II transcription elongation and carboxyl-terminal domain phosphorylation. Nucleic Acids Research 48 (14), S. 7712 - 7727 (2020)

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Kim, K.-P.; Choi, J.; Yoon, J.; Bruder, J. M.; Shin, B.; Kim, J.; Arauzo-Bravo, M. J.; Han, D.; Wu, G.; Han, D. W. et al.; Kim, J.; Cramer, P.; Schöler, H. R.: Permissive epigenomes endow reprogramming competence to transcriptional regulators. Nature Chemical Biology, In Press (2020)

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Chan, K.-H.; Petrychenko, V.; Mueller, C.; Maracci, C.; Holtkamp, W.; Wilson, D. N.; Fischer, N.; Rodnina, M. V.: Mechanism of ribosome rescue by alternative ribosome-rescue factor B. Nature Communications 11, 4106 (2020)

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Hillen, H.; Kokic, G.; Farnung, L.; Dienemann, C.; Tegunov, D.; Cramer, P.: Structure of replicating SARS-CoV-2 polymerase. Nature 584 (7819), S. 154 - 156 (2020)

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Mercier, E.; Wintermeyer, W.; Rodnina, M. V.: Co‐translational insertion and topogenesis of bacterial membrane proteins monitored in real time. EMBO Journal 39 (15), e104054 (2020)

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Westphal, G.; Wega, J.; Dissanayake, R. E. A.; Schäfer, T.: Chirality detection of surface desorption products using photoelectron circular dichroism. The Journal of Chemical Physics 153 (5), 054707 (2020)

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O’Reilly, F. J.; Xue, L.; Graziadei, A.; Sinn, L.; Lenz, S.; Tegunov, D.; Blötz, C.; Singh, N.; Hagen, W. J. H.; Cramer, P. et al.; Stülke, J.; Mahamid, J.; Rappsilber, J.: In-cell architecture of an actively transcribing-translating expressome. Science 369 (6503), S. 554 - 557 (2020)

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Bucevicius, J.; Kostiuk, G.; Gerasimaite, R.; Gilat, T.; Lukinavicius, G.: Enhancing the biocompatibility of rhodamine fluorescent probes by a neighbouring group effect. Chemical Science 11 (28), S. 7313 - 7323 (2020)

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Gerrits, N.; Geweke, J.; Smeets, E. W. F.; Voss, J.; Wodtke, A. M.; Kroes, G.-J.: Closing the gap between experiment and theory: Reactive scattering of HCl from Au(111). Journal of Physical Chemistry C 124 (29), S. 15944 - 15960 (2020)

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Königsmann, T.; Parfentev, I.; Urlaub, H.; Riedel, D.; Schuh, R.: The bicistronic gene würmchen encodes two essential components for epithelial development in Drosophila. Developmental Biology 463 (1), S. 53 - 62 (2020)

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