Publications

1.

Journal Article

Lapolla, A.; Godec, A.: BetheSF V2: 3-point propagator and additional external potentials. Computer Physics Communications 269, 108131 (2021)

MPG.PuRe

DOI

publisher-version

2.

Journal Article

Lapolla, A.; Vossel, M.; Godec, A.: Time- and ensemble-average statistical mechanics of the Gaussian network model. Journal of Physics A 54 (35), 355601 (2021)

MPG.PuRe

DOI

publisher-version

3.

Journal Article

Bhatta, A.; Dienemann, C.; Cramer, P.; Hillen, H.: Structural basis of RNA processing by human mitochondrial RNase P. Nature Structural and Molecular Biology 28 (9), pp. 713 - 723 (2021)

MPG.PuRe

DOI

publisher-version

4.

Journal Article

Nagy, G.; Grubmüller, H.: Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package. Computer Physics Communications 266, 108022 (2021)

MPG.PuRe

DOI

publisher-version

5.

Journal Article

Fingerhut, J.; Borodin, D.; Schwarzer, M.; Skoulatakis, G.; Auerbach, D. J.; Wodtke, A. M.; Kitsopoulos, T. N.: The barrier for CO2 functionalization to formate on hydrogenated Pt. Journal of Physical Chemistry A 125 (34), pp. 7396 - 7405 (2021)

MPG.PuRe

DOI

6.

Journal Article

Jochheim, F. A.; Tegunov, D.; Hillen, H. S.; Schmitzova, J.; Kokic, G.; Dienemann, C.; Cramer, P.: The structure of a dimeric form of SARS-CoV-2 polymerase. Communications Biology 4, 999 (2021)

MPG.PuRe

DOI

publisher-version

7.

Journal Article

Borodin, D.; Schwarzer, M.; Hahn, H. W.; Fingerhut, J.; Wang, Y.; Auerbach, D. J.; Guo, H.; Schroeder, J.; Kitsopoulos, T. N.; Wodtke, A. M.: The puzzle of rapid hydrogen oxidation on Pt(111). Molecular Physics, In Press; e1966533 (2021)

MPG.PuRe

DOI

8.

Journal Article

Hartich, D.; Godec, A.: Thermodynamic uncertainty relation bounds the extent of anomalous diffusion. Physical Review Letters 127 (8), 080601 (2021)

MPG.PuRe

DOI

publisher-version

9.

Journal Article

Nair, R. M.; Seenivasan, A.; Liu, B.; Chen, D.; Lowe, E. D.; Lorenz, S.: Reconstitution and structural analysis of a HECT ligase-ubiquitin complex via an activity-based probe. ACS Chemical Biology, In Press (2021)

MPG.PuRe

DOI

10.

Journal Article

Kabinger, F.; Stiller, C.; Schmitzova, J.; Dienemann, C.; Kokic, G.; Hillen, H. S.; Höbartner, C.; Cramer, P.: Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis. Nature Structural and Molecular Biology, In Press (2021)

MPG.PuRe

DOI

11.

Journal Article

Quan, J.; Chang, Y.; Li, Z.; Zhao, Y.; Luo, Z.; Wu, Y.; Zhang, S.; Chen, Z.; Yang, J.; Yuan, K. et al.; Yang, X.; Krüger, B. C.; Schwarzer, D.; Wodtke, A. M.; Park, G. B.: A free electron laser-based 1+1′ resonance-enhanced multiphoton ionization scheme for rotationally resolved detection of OH radicals with correct relative intensities. Journal of Molecular Spectroscopy 380, 111509 (2021)

MPG.PuRe

DOI

12.

Journal Article

Wang, H.; Xiong, L.; Cramer, P.: Structures and implications of TBP–nucleosome complexes. Proceedings of the National Academy of Sciences of the USA 118 (30), e2108859118 (2021)

MPG.PuRe

DOI

13.

Journal Article

Schilbach, S.; Aibara, S.; Dienemann, C.; Grabbe, F.; Cramer, P.: Structure of RNA polymerase II pre-initiation complex at 2.9 Å defines initial DNA opening. Cell 184 (15), pp. 4064 - 4072.e28 (2021)

MPG.PuRe

DOI

14.

Journal Article

King, A. J.; Songdej, D.; Downes, D. J.; Beagrie, R. A.; Liu, S.; Buckley, M.; Hua, P.; Suciu, M. C.; Oudelaar, A. M.; Hanssen, L. L. P. et al.; Jeziorska, D.; Roberts, N.; Carpenter, S. J.; Francis, H.; Telenius, J.; Olijnik, A.-A.; Sharpe, J. A.; Sloane-Stanley, J.; Eglinton, J.; Kassouf, M. T.; Orkin, S. H.; Pennacchio, L. A.; Davies, J. O. J.; Hughes, J. R.; Higgs, D. R.; Babbs, C.: Reactivation of a developmentally silenced embryonic globin gene. Nature Communications 12, 4439 (2021)

MPG.PuRe

DOI

publisher-version

15.

Journal Article

Lecroart, L.; Hertl, N.; Dorenkamp, Y.; Jiang, H.; Kitsopoulos, T. N.; Kandratsenka, A.; Bünermann, O.; Wodtke, A. M.: Adsorbate modification of electronic nonadiabaticity: H atom scattering from p(2 × 2) O on Pt(111). The Journal of Chemical Physics 155 (3), 034702 (2021)

MPG.PuRe

DOI

16.

Journal Article

García-Martínez, J.; Medina, D. A.; Bellvís, P.; Sun, M.; Cramer, P.; Chávez, S.; Pérez-Ortín, J. E.: The total mRNA concentration buffering system in yeast is global rather than gene-specific. RNA, In Press (2021)

MPG.PuRe

DOI

17.

Journal Article

Chen, Y.; Vos, S. M.; Dienemann, C.; Ninov, M.; Urlaub, H.; Cramer, P.: Allosteric transcription stimulation by RNA polymerase II super elongation complex. Molecular Cell 81 (16), pp. 3386 - 3399.e10 (2021)

MPG.PuRe

DOI

18.

Journal Article

Huang, X.; Hu, H.; Webster, A.; Zou, F.; Du, J.; Patel, D. J.; Sachidanandam, R.; Toth, K. F.; Aravin, A. A.; Li, S.: Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex. Nature Communications 12, 4061 (2021)

MPG.PuRe

DOI

publisher-version

19.

Journal Article

Reinhardt, M.; Grubmüller, H.: GROMACS implementation of free energy calculations with non-pairwise variationally derived intermediates. Computer Physics Communications 264, 107931 (2021)

MPG.PuRe

DOI

publisher-version

20.

Journal Article

Ng, S. C.; Güttler, T.; Görlich, D.: Recapitulation of selective nuclear import and export with a perfectly repeated 12mer GLFG peptide. Nature Communications 12, 4047 (2021)

MPG.PuRe

DOI

publisher-version

21.

Journal Article

Orth, B.; Sander, B.; Möglich, A.; Diederichs, K.; Eilers, M.; Lorenz, S.: Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1. Structure, In Press (2021)

MPG.PuRe

DOI

22.

Journal Article

Bozhilov, Y. K.; Downes, D. J.; Telenius, J.; Oudelaar, A. M.; Olivier, E. N.; Mountford, J. C.; Hughes, J. R.; Gibbons, R. J.; Higgs, D. R.: A gain-of-function single nucleotide variant creates a new promoter which acts as an orientation-dependent enhancer-blocker. Nature Communications 12, 3806 (2021)

MPG.PuRe

DOI

publisher-version

23.

Journal Article

Zumer, K.; Maier, K. C.; Farnung, L.; Jaeger, M. G.; Rus, P.; Winter, G.; Cramer, P.: Two distinct mechanisms of RNA polymerase II elongation stimulation in vivo. Molecular Cell, In Press (2021)

MPG.PuRe

DOI

24.

Journal Article

Hua, P.; Badat, M.; Hanssen, L. L. P.; Hentges, L. D.; Crump, N.; Downes, D. J.; Jeziorska, D. M.; Oudelaar, A. M.; Schwessinger, R.; Taylor, S. et al.; Milne, T. A.; Hughes, J. R.; Higgs, D. R.; Davies, J. O. J.: Defining genome architecture at base-pair resolution. Nature, In Press (2021)

MPG.PuRe

DOI

25.

Journal Article

Aibara, S.; Schilbach, S.; Cramer, P.: Structures of mammalian RNA polymerase II pre-initiation complexes. Nature 594 (7861), pp. 124 - 128 (2021)

MPG.PuRe

DOI

26.

Journal Article

Witkowska, A.; Heinz, L. P.; Grubmüller, H.; Jahn, R.: Tight docking of membranes before fusion represents a novel, metastable state with unique properties. Nature Communications (accepted)

MPG.PuRe

27.

Journal Article

Lapolla, A.; Godec, A.: Toolbox for quantifying memory in dynamics along reaction coordinates. Physical Review Research 3 (2), L022018 (2021)

MPG.PuRe

DOI

publisher-version

28.

Journal Article

Oberbeckmann, E.; Niebauer, V.; Watanabe, S.; Farnung, L.; Moldt, M.; Schmid, A.; Cramer, P.; Peterson, C. L.; Eustermann, S.; Hopfner, K.-P. et al.; Korber, P.: Ruler elements in chromatin remodelers set nucleosome array spacing and phasing. Nature Communications 12, 3232 (2021)

MPG.PuRe

DOI

publisher-version

29.

Journal Article

Fianu, I.; Dienemann, C.; Aibara, S.; Schilbach, S.; Cramer, P.: Cryo-EM structure of mammalian RNA polymerase II in complex with human RPAP2. Communications Biology 4, 606 (2021)

MPG.PuRe

DOI

publisher-version

30.

Journal Article

Quentin, C.; Gerasimaite, R.; Freidzon, A.; Atabekyan, L. S.; Lukinavičius, G.; Belov, V. N.; Mitronova, G.: Direct visualization of amlodipine intervention into living cells by means of fluorescence microscopy. Molecules 26 (10), 2997 (2021)

MPG.PuRe

DOI

publisher-version

31.

Journal Article

Hett, T.; Zbik, T.; Mukherjee, S.; Matsuoka, H.; Bönigk, W.; Klose, D.; Rouillon, C.; Brenner, N.; Peuker, S.; Klement, R. et al.; Steinhoff, H.-J.; Grubmüller, H.; Seifert, R.; Schiemann, O.; Kaupp, U. B.: Spatiotemporal resolution of conformational changes in biomolecules by combining pulsed electron–electron double resonance spectroscopy with microsecond freeze-hyperquenching. Journal of the American Chemical Society 143 (18), pp. 6981 - 6989 (2021)

MPG.PuRe

DOI

publisher-version

32.

Journal Article

Gapsys, V.; Yildirim, A.; Aldeghi, M.; Khalak, Y.; van der Spoel, D.; de Groot, B. L.: Accurate absolute free energies for ligand-protein binding based on non-equilibrium approaches. Communications Chemistry 4, 61 (2021)

MPG.PuRe

DOI

publisher-version

33.

Journal Article

Cavazza, T.; Takeda, Y.; Politi, A.; Aushev, M.; Aldag, P.; Baker, C.; Choudhary, M.; Bucevičius, J.; Lukinavičius, G.; Elder, K. et al.; Blayney, M.; Lucas-Hahn, A.; Niemann, H.; Herbert, M.; Schuh, M.: Parental genome unification is highly error-prone in mammalian embryos. Cell, In Press (2021)

MPG.PuRe

DOI

pre-print

34.

Journal Article

Hecker, F.; Stubbe, J.; Bennati, M.: Detection of water molecules on the radical transfer pathway of ribonucleotide reductase by 17O electron–nuclear double resonance spectroscopy. The Journal of the American Chemical Society, In Press (2021)

MPG.PuRe

DOI

35.

Journal Article

Baumann, H. M.; Gapsys, V.; de Groot, B. L.; Mobley, D. L.: Challenges encountered applying equilibrium and nonequilibrium binding free energy calculations. Journal of Physical Chemistry B 125 (17), pp. 4241 - 4261 (2021)

MPG.PuRe

DOI

publisher-version

36.

Journal Article

Rengachari, S.; Schilbach, S.; Aibara, S.; Dienemann, C.; Cramer, P.: Structure of human Mediator-RNA polymerase II pre-initiation complex. Nature, In Press (2021)

MPG.PuRe

DOI

37.

Journal Article

Hillen, H. S.; Markov, D. A.; Wojtas, I. D.; Hofmann, K. B.; Lidschreiber, M.; Cowan, A. T.; Jones, J. L.; Temiakov, D.; Cramer, P.; Anikin, M.: The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3′-UTRs of yeast mitochondrial mRNAs. Proceedings of the National Academy of Sciences of the USA 118 (15), e2009329118 (2021)

MPG.PuRe

DOI

38.

Journal Article

Uno, K.; Aktalay, A.; Bossi, M. L.; Irie, M.; Belov, V. N.; Hell, S. W.: Turn-on mode diarylethenes for bioconjugation and fluorescence microscopy of cellular structures. Proceedings of the National Academy of Sciences of the USA 118 (14), e2100165118 (2021)

MPG.PuRe

DOI

39.

Journal Article

Farnung, L.; Ochmann, M.; Engeholm, M.; Cramer, P.: Structural basis of nucleosome transcription mediated by Chd1 and FACT. Nature Structural and Molecular Biology 28 (4), pp. 382 - 387 (2021)

MPG.PuRe

DOI

40.

Journal Article

Oudelaar, A. M.; Beagrie, R. A.; Kassouf, M. T.; Higgs, D. R.: The mouse alpha-globin cluster: A paradigm for studying genome regulation and organization. Current Opinion in Genetics and Development 67, pp. 18 - 24 (2021)

MPG.PuRe

DOI

publisher-version

41.

Journal Article

So, C.; Cheng, S.; Schuh, M.: Phase separation during germline development. Trends in Cell Biology 31 (4), pp. 254 - 268 (2021)

MPG.PuRe

DOI

publisher-version

42.

Journal Article

Choi, J.; Lysakovskai, K.; Lysakovskaia, K.; Stik, G.; Demel, C.; Söding, J.; Tian, T. V.; Graf, T.; Cramer, P.: Evidence for additive and synergistic action of mammalian enhancers during cell fate determination. eLife 10, e65381 (2021)

MPG.PuRe

DOI

publisher-version

43.

Journal Article

Medina, L.; González-Lizárraga, F.; Dominguez-Meijide, A.; Ploper, D.; Parrales, V.; Sequeira, S.; Cima-Omori, M.-S.; Zweckstetter, M.; Bel, E. D.; Michel, P. P. et al.; Outeiro, T. F.; Raisman-Vozari, R.; Chehín, R.; Socias, S. B.: Doxycycline Interferes With Tau Aggregation and Reduces Its Neuronal Toxicity. Frontiers in Aging Neuroscience 13, 635760 (2021)

MPG.PuRe

DOI

publisher-version

44.

Journal Article

Butola, T.; Alvanos, T.; Hintze, A.; Koppensteiner, P.; Kleindienst, D.; Shigemoto, R.; Wichmann, C.; Moser, T.: RIM-Binding Protein 2 organizes Ca2+channel topography and regulates release probability and vesicle replenishment at a fast central synapse. bioRxiv, 435607 (2021)

MPG.PuRe

DOI

pre-print

45.

Journal Article

Weber, M.; Leutenegger, M.; Stoldt, S.; Jakobs, S.; Mihaila, T. S.; Butkevich, A. N.; Hell, S. W.: MINSTED fluorescence localization and nanoscopy. Nature Photonics 15, pp. 361 - 366 (2021)

MPG.PuRe

DOI

publisher-version

46.

Journal Article

Heinz, L. P.; Grubmüller, H.: Per|Mut: Spatially resolved hydration entropies from atomistic simulations. Journal of Chemical Theory and Computation, In Press (2021)

MPG.PuRe

DOI

47.

Journal Article

Buelens, F. P.; Leonov, H.; de Groot, B. L.; Grubmüller, H.: ATP-magnesium coordination: Protein structure-based force field evaluation and corrections. Journal of Chemical Theory and Computation 17 (3), pp. 1922 - 1930 (2021)

MPG.PuRe

DOI

publisher-version

48.

Journal Article

Caizzi, L.; Monteiro-Martins, S.; Schwalb, B.; Lysakovskaya, K.; Schmitzova, J.; Sawicka, A.; Chen, Y.; Lidschreiber, M.; Cramer, P.: Efficient RNA polymerase II pause release requires U2 snRNP function. Molecular Cell, In Press (2021)

MPG.PuRe

DOI

49.

Journal Article

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 81 (5), pp. 983 - 997.e7 (2021)

MPG.PuRe

DOI

50.

Journal Article

Rawat, P.; Böhning, M.; Hummel, B.; Aprile-Garcia, F.; Pandit, A. S.; Eisenhardt, N.; Khavaran, A.; Niskanen, E.; Vos, S. M.; Palvimo, J. J. et al.; Pichler, A.; Cramer, P.; Sawarkar, R.: Stress-induced nuclear condensation of NELF drives transcriptional downregulation. Molecular Cell 81 (5), pp. 1013 - 1026.e11 (2021)

MPG.PuRe

DOI

publisher-version

51.

Journal Article

Daday, C.; de Groot, B. L.: Lipid–protein forces predict conformational changes in a mechanosensitive channel. European Biophysics Journal 50 (2), pp. 181 - 186 (2021)

MPG.PuRe

DOI

publisher-version

52.

Journal Article

de Groot, B. L.; Janshoff, A.; Steinem, C.; Zweckstetter, M.: Special issue: Multicomponent lipid membranes—how molecular organisation leads to function. European Biophysics Journal 50 (2), pp. 107 - 108 (2021)

MPG.PuRe

DOI

publisher-version

53.

Journal Article

Grothe, T.; Nowak, J.; Jahn, R.; Walla, P. J.: Selected tools to visualize membrane interactions. European Biophysics Journal 50 (2), pp. 211 - 222 (2021)

MPG.PuRe

DOI

publisher-version

54.

Journal Article

Kroppen, B.; Teske, N.; Yambire, K. F.; Denkert, N.; Mukherjee, I.; Tarasenko, D.; Jaipuria, G.; Zweckstetter, M.; Milosevic, I.; Steinem, C. et al.; Meinecke, M.: Cooperativity of membrane-protein and protein–protein interactions control membrane remodeling by epsin 1 and affects clathrin-mediated endocytosis. Cellular and Molecular Life Sciences 78 (5), pp. 2355 - 2370 (2021)

MPG.PuRe

DOI

publisher-version

55.

Journal Article

Najbauer, E.; Becker, S.; Giller, K.; Zweckstetter, M.; Lange, A.; Steinem, C.; de Groot, B. L.; Griesinger, C.; Andreas, L. B.: Structure, gating and interactions of the voltage-dependent anion channel. European Biophysics Journal 50 (2), pp. 159 - 172 (2021)

MPG.PuRe

DOI

publisher-version

56.

Journal Article

Özçete, Ö. D.; Moser, T.: A sensory cell diversifies its output by varying Ca2+ influx‐release coupling among active zones. EMBO Journal 40 (5), e106010 (2021)

MPG.PuRe

DOI

publisher-version

57.

Journal Article

Pein, F.; Eltzner, B.; Munk, A.: Analysis of patchclamp recordings: model-free multiscale methods and software. European Biophysics Journal 50 (2), pp. 187 - 209 (2021)

MPG.PuRe

DOI

publisher-version

58.

Journal Article

Risselada, H. J.; Grubmüller, H.: How proteins open fusion pores: insights from molecular simulations. European Biophysics Journal 50 (2), pp. 279 - 293 (2021)

MPG.PuRe

DOI

publisher-version

59.

Journal Article

Rivière, G.; Jaipuria, G.; Andreas, L. B.; Leonov, A.; Giller, K.; Becker, S.; Zweckstetter, M.: Membrane-embedded TSPO: an NMR view. European Biophysics Journal 50 (2), pp. 173 - 180 (2021)

MPG.PuRe

DOI

publisher-version

60.

Journal Article

Tkach, I.; Diederichsen, U.; Bennati, M.: Studies of transmembrane peptides by pulse dipolar spectroscopy with semi-rigid TOPP spin labels. European Biophysics Journal 50 (2), pp. 143 - 157 (2021)

MPG.PuRe

DOI

publisher-version

61.

Journal Article

Levien, M.; Reinhard, M.; Hiller, M.; Tkach, I.; Bennati, M.; Orlando, T.: Spin density localization and accessibility in organic radicals for liquid-state DNP efficiency. Physical Chemistry Chemical Physics 23 (8), pp. 4480 - 4485 (2021)

MPG.PuRe

DOI

publisher-version

62.

Journal Article

Jiang, H.; Tao, X.; Kammler, M.; Ding, F.; Wodtke, A.; Kandratsenka, A.; Miller III, T. F.; Bünermann, O.: Small nuclear quantum effects in scattering of H and D from graphene. Journal of Physical Chemistry Letters 12 (7), pp. 1991 - 1996 (2021)

MPG.PuRe

DOI

63.

Journal Article

Liu, H.; Koros, C.; Strohäker, T.; Schulte, C.; Bozi, M.; Varvaresos, S.; de Opakua, A. I.; Simitsi, A. M.; Bougea, A.; Voumvourakis, K. et al.; Maniati, M.; Papageorgiou, S. G.; Hauser, A.‐.; Becker, S.; Zweckstetter, M.; Stefanis, L.; Gasser, T.: A novel SNCA A30G mutation causes familial Parkinsonʼs disease. Movement Disorders, In Press (2021)

MPG.PuRe

DOI

64.

Journal Article

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 81 (4), pp. 830 - 844.e13 (2021)

MPG.PuRe

DOI

65.

Journal Article

Gray, A. L. H.; Steren, C. A.; Haynes, I. W.; Bermejo, G. A.; Favretto, F.; Zweckstetter, M.; Do, T. D.: Structural Flexibility of Cyclosporine A Is Mediated by Amide Cis–Trans Isomerization and the Chameleonic Roles of Calcium. Journal of Physical Chemistry B 125 (5), pp. 1378 - 1391 (2021)

MPG.PuRe

DOI

66.

Journal Article

Sawicka, A.; Villamil, G.; Lidschreiber, M.; Darzacq, X.; Dugast‐Darzacq, C.; Schwalb, B.; Cramer, P.: Transcription activation depends on the length of the RNA polymerase II C‐terminal domain. EMBO Journal In Press, e107015 (2021)

MPG.PuRe

DOI

publisher-version

67.

Journal Article

Scheffler, K.; Uraji, J.; Jentoft, I.; Cavazza, T.; Mönnich, E.; Mogessie, B.; Schuh, M.: Two mechanisms drive pronuclear migration in mouse zygotes. Nature Communications 12, 841 (2021)

MPG.PuRe

DOI

publisher-version

68.

Journal Article

Zhang, Y.; Laurentiis, E. D.; Bohnsack, K. E.; Wahlig, M.; Ranjan, N.; Gruseck, S.; Hackert, P.; Wölfle, T.; Rodnina, M. V.; Schwappach, B. et al.; Rospert, S.: Ribosome-bound Get4/5 facilitates the capture of tail-anchored proteins by Sgt2 in yeast. Nature Communications 12, 782 (2021)

MPG.PuRe

DOI

publisher-version

69.

Journal Article

Tegunov, D.; Xue, L.; Dienemann, C.; Cramer, P.; Mahamid, J.: Multi-particle cryo-EM refinement with M visualizes ribosome-antibiotic complex at 3.5 Å in cells. Nature Methods 18 (2), pp. 186 - 193 (2021)

MPG.PuRe

DOI

70.

Journal Article

Zheng, X.; Zhang, L.; Kuang, Y.; Venkataramani, V.; Jin, F.; Hein, K.; Zafeiriou, M. P.; Lenz, C.; Moebius, W.; Kilic, E. et al.; Hermann, D. M.; Weber, M. S.; Urlaub, H.; Zimmermann, W.-H.; Bähr, M.; Doeppner, T. R.: Extracellular vesicles derived from neural progenitor cells: A preclinical evaluation for stroke treatment in mice. Translational Stroke Research 12 (1), pp. 185 - 203 (2021)

MPG.PuRe

DOI

71.

Journal Article

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), pp. 157 - 168 (2021)

MPG.PuRe

DOI

publisher-version

72.

Journal Article

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)

MPG.PuRe

DOI

publisher-version

73.

Journal Article

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), pp. 391 - 395 (2021)

MPG.PuRe

DOI

74.

Journal Article

Sieger, A.; Rankovic, M.; Favretto, F.; Ukmar‐Godec, T.; Strohäker, T.; Becker, S.; Zweckstetter, M.: Interplay between tau and α‐synuclein liquid–liquid phase separation. Protein Science, In Press (2021)

MPG.PuRe

DOI

75.

Journal Article

Thomas, C.; Cavazza, T.; Schuh, M.: Aneuploidy in human eggs: contributions of the meiotic spindle. Biochemical Society Transactions 49 (1), pp. 107 - 118 (2021)

MPG.PuRe

DOI

publisher-version

76.

Journal Article

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), pp. 305 - 309 (2021)

MPG.PuRe

DOI

77.

Journal Article

Kokic, G.; Hillen, H. S.; Tegunov, D.; Dienemann, C.; Seitz, F.; Schmitzova, J.; Farnung, L.; Siewert, A.; Höbartner, C.; Cramer, P.: Mechanism of SARS-CoV-2 polymerase stalling by remdesivir. Nature Communications 12, 279 (2021)

MPG.PuRe

DOI

publisher-version

78.

Journal Article

Samatova, E. N.; Daberger, J.; Liutkute, M.; Rodnina, M. V.: Translational control by ribosome pausing in bacteria: How a non-uniform pace of translation affects protein production and folding. Frontiers in Microbiology 11, 619430 (2021)

MPG.PuRe

DOI

publisher-version

79.

Journal Article

Savastano, A.; Flores, D.; Kadavath, H.; Biernat, J.; Mandelkow, E.; Zweckstetter, M.: Disease‐associated tau phosphorylation hinders tubulin assembly within tau condensates. Angewandte Chemie International Edition 60 (2), pp. 726 - 730 (2021)

MPG.PuRe

DOI

publisher-version

80.

Journal Article

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), pp. D298 - D308 (2021)

MPG.PuRe

DOI

publisher-version

81.

Journal Article

Korchak, S.; Jagtap, A.; Glöggler, S.: Signal-enhanced real-time magnetic resonance of enzymatic reactions at millitesla fields. Chemical Science 12 (1), pp. 314 - 319 (2021)

MPG.PuRe

DOI

publisher-version

82.

Journal Article

Rankovic, V.; Vogl, C.; Dörje, N. M.; Bahader, I.; Duque-Afonso, C. J.; Thirumalai, A.; Weber, T.; Kusch, K.; Strenzke, N.; Moser, T.: Overloaded adeno-associated virus as a novel gene therapeutic tool for otoferlin-related deafness. Frontiers in Moecular Neuroscience 13, 600051 (2021)

MPG.PuRe

DOI

publisher-version

83.

Journal Article

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 81 (1), pp. 13 - 24.e7 (2021)

MPG.PuRe

DOI

84.

Journal Article

Weber, M.; Khan, T. A.; Patalag, L. J.; Bossi, M.; Leutenegger, M.; Belov, V. N.; Hell, S. W.: Photoactivatable Fluorophore for Stimulated Emission Depletion (STED) Microscopy and Bioconjugation Technique for Hydrophobic Labels. Chemistry - A European Journal 27 (1), pp. 451 - 458 (2021)

MPG.PuRe

DOI

publisher-version

85.

Journal Article

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 17 (1), pp. 47 - 56 (2021)

MPG.PuRe

DOI

supplementary-material

86.

Journal Article

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 35 (1), pp. 97 - 117 (2021)

MPG.PuRe

DOI

publisher-version

87.

Journal Article

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)

MPG.PuRe

DOI

publisher-version

88.

Journal Article

Lidschreiber, K.; Jung, L. A.; von der Emd, H.; von der Emde, H.; Dave, K.; Taipale, J.; Cramer, P.; Lidschreiber, M.: Transcriptionally active enhancers in human cancer cells. Molecular Systems Biology 17 (1), e9873 (2021)

MPG.PuRe

DOI

publisher-version

89.

Journal Article

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 34 (1), e4400 (2021)

MPG.PuRe

DOI

publisher-version

90.

Journal Article

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)

MPG.PuRe

DOI

91.

Journal Article

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), pp. 712 - 716 (2020)

MPG.PuRe

DOI

92.

Journal Article

Townsend, C.; Leelaram, M. N.; Agafonov, D. E.; Dybkov, O.; Will, C. L.; Bertram, K.; Urlaub, H.; Kastner, B.; Stark, H.; Lührmann, R.: Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation. Science 370 (6523), eabc3753 (2020)

MPG.PuRe

DOI

93.

Journal Article

Lavdovskaia, E.; Denks, K.; Nadler, F.; Steube, E.; Linden, A.; Urlaub, H.; Rodnina, M. V.; Richter-Dennerlein, R.: Dual function of GTPBP6 in biogenesis and recycling of human mitochondrial ribosomes. Nucleic Acids Research 48 (22), pp. 12929 - 12942 (2020)

MPG.PuRe

DOI

publisher-version

94.

Journal Article

Bubnis, G.; Grubmüller, H.: Sequential water and headgroup merger: Membrane poration paths and energetics from MD simulations. Biophysical Journal 119 (12), pp. 2418 - 2430 (2020)

MPG.PuRe

DOI

publisher-version

95.

Journal Article

Gabler, F.; Nam, S.-Z.; Till, S.; Mirdita, M.; Steinegger, M.; Söding, J.; Lupas, A. N.; Alva, V.: Protein sequence analysis using the MPI Bioinformatics Toolkit. Current Protocols in Bioinformatics 72, e108 (2020)

MPG.PuRe

DOI

96.

Journal Article

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

MPG.PuRe

DOI

publisher-version

97.

Journal Article

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 22 (45), pp. 26113 - 26120 (2020)

MPG.PuRe

DOI

publisher-version

supplementary-material

ZIP

98.

Journal Article

Kolar, M. H.; Bock, L. V.; Grubmüller, H.: Atomistic simulations of the human proteasome inhibited by a covalent ligand. arXiv, 2012.03387 (2020)

MPG.PuRe

pre-print

99.

Journal Article

Savastano, A.; Jaipuria, G.; Andreas, L. B.; Mandelkow, E.; Zweckstetter, M.: Solid-state NMR investigation of the involvement of the P2 region in tau amyloid fibrils. Scientific Reports 10, 21210 (2020)

MPG.PuRe

DOI

publisher-version

Publications

Journal Article (9715)