2024
Changiarath A, Michels JJ, Rodriguez RH, Hanson SM, Schmid F, Padeken J and Stelzl LS ( 2024 ) Conditions for the co-existence of promoter and gene-body condensates. bioRxiv , doi: 10.1101/2024.03.16.585180 Link
Gaurav K, Busetto V, Paez Moscoso DJ, Changiarath A, Hanson SM, Falk S, Ketting RF and Stelzl LS ( 2024 ) Multiscale simulations of molecular recognition by phase separated MUT-16: A scaffolding protein of Mutator foci. bioRxiv , 10.1101/2024.04.13.589337 Link
Pietrek LM, Stelzl LS and Hummer G ( 2024 ) Hierarchical assembly of single-stranded RNA. J Chem Theory Comput , doi: 10.1021/acs.jctc.3c01049 Link
2023
Flores-Solis D, Lushpinskaia I, Polyansky A, Changiarath A, Boehning M, Mirkovic M, Walshe J, Pietrek L, Cramer P, Stelzl L, Zagrovic B and Zweckstetter M ( 2023 ) Driving forces behind phase separation of the carboxy-terminal domain of RNA polymerase II. Nat Commun , 14:5979 Link
Pietrek LM*, Stelzl LS* and Hummer G ( 2023 ) Structural ensembles of disordered proteins from hierarchical chain growth and simulation. Curr Opin Struct Biol , 78:102501 (*indicates joint contribution) Link
Sekulovski S, Sušac L, Stelzl LS, Tampé R and Trowitzsch S ( 2023 ) Structural basis of substrate recognition by human tRNA splicing endonuclease TSEN. Nat Struct Mol Biol , 30:834–840 Link
2022
Bauer DJ, Stelzl L and Nikoubashman A ( 2022 ) Single-chain and condensed-state behavior of hnRNPA1 from molecular simulations. J Chem Phys , 157:154903 Link
Gräf JF*, Mikicic I*, Ping X, Scalera C, Mayr K, Stelzl LS, Beli P and Wagner SA ( 2022 ) Substrate spectrum of PPM1D in the cellular response to DNA double-strand breaks. iScience , 25:104892 (*indicates joint contribution) Link
Gruijs da Silva LA, Simonetti F, Hutten S, Riemenschneider H, Sternburg EL, Pietrek LM, Gebel J, Dötsch V, Edbauer D, Hummer G, Stelzl LS and Dormann D ( 2022 ) Disease‐linked TDP‐43 hyperphosphorylation suppresses TDP‐43 condensation and aggregation. EMBO J , 41:e108443 Link
Palacio-Rodriguez K*, Vroylandt H*, Stelzl LS, Pietrucci F, Hummer G and Cossio P ( 2022 ) Transition rates and efficiency of collective variables from time-dependent biased simulations. J Phys Chem Lett , 13:7490–7496 (*indicates joint contribution) Link
Stelzl LS, Kritsiligkou P, Mehdipour AR, Baldwin AJ, Ferguson SJ, Mavridou DAI, Sansom MSP and Redfield C ( 2022 ) Molecular determinants of dynamic protein-protein interactions in the functional cycle of the membrane protein DsbD. BioRxiv , doi: 2022.09.07.506916 Link
Stelzl LS*, Pietrek LM*, Holla A, Oroz J, Sikora M, Köfinger J, Schuler B, Zweckstetter M and Hummer G ( 2022 ) Global structure of the intrinsically disordered protein Tau emerges from its local structure. JACS Au , 2:673–686 (*indicates joint contribution) Link
2021
Benayad Z, von Bülow S, Stelzl LS and Hummer G (2021) Simulation of FUS protein condensates with an adapted coarse-grained model. J Chem Theory Comput, 17:525–537 Link
2020
Collauto A, von Bülow S, Gophane DB, Saha S, Stelzl LS, Hummer G, Sigurdsson ST and Prisner TF (2020) Compaction of RNA duplexes in the cell. Angew Chemie Int Ed, 59:23025–23029 Link
Heinz M, Erlenbach N, Stelzl LS, Thierolf G, Kamble NR, Sigurdsson ST, Prisner TF and Hummer G (2020) High-resolution EPR distance measurements on RNA and DNA with the non-covalent Ǵ spin label. Nucleic Acids Res, 48:924–933 Link
Pietrek LM*, Stelzl LS* and Hummer G (2020) Hierarchical ensembles of intrinsically disordered proteins at atomic resolution in molecular dynamics simulations. J Chem Theory Comput, 16:725–737 Link (*indicates joint contribution)
Stelzl LS, Mavridou DA, Saridakis E, Gonzalez D, Baldwin AJ, Ferguson SJ, Sansom MS and Redfield C (2020) Local frustration determines loop opening during the catalytic cycle of an oxidoreductase. eLife, 9:e54661 Link
2019
Köfinger J, Stelzl LS, Reuter K, Allande C, Reichel K and Hummer G (2019) Efficient ensemble refinement by reweighting. J Chem Theory Comput, 15:3390–3401 Link
2018
Bowen AM, Erlenbach N, van Os P, Stelzl LS, Sigurdsson ST and Prisner TF (2018) Orientation selective 2D-SIFTER experiments at X-band frequencies. Appl Magn Reson, 49:1355–1368 Link
Gränz M, Erlenbach N, Spindler P, Gophane DB, Stelzl LS, Sigurdsson ST and Prisner TF (2018) Dynamics of nucleic acids at room temperature revealed by pulsed EPR spectroscopy. Angew Chemie Int Ed, 57:10540–10543 Link
Grotz KK, Nueesch MF, Holmstrom ED, Heinz M, Stelzl LS, Schuler B and Hummer G (2018) Dispersion correction alleviates dye stacking of single-stranded DNA and RNA in simulations of single-molecule fluorescence experiments. J Phys Chem B, 122:11626–11639 Link
Reichel K, Stelzl LS, Köfinger J and Hummer G (2018) Precision DEER distances from spin-label ensemble refinement. J Phys Chem Lett, 9:5748–5752 Link
Seyfried P, Heinz M, Pintér G, Klötzner D-P, Becker Y, Bolte M, Jonker HRA, Stelzl LS, Hummer G, Schwalbe H and Heckel A (2018) Optimal destabilization of DNA double strands by single-nucleobase caging. Chem – A Eur J, 24:17568–17576 Link
2017
Stelzl LS*, Erlenbach N*, Heinz M, Prisner TF and Hummer G (2017) Resolving the conformational dynamics of DNA with Ångstrom resolution by pulsed electron–electron double resonance and molecular dynamics. J Am Chem Soc, 139:11674–11677 Link (*indicates joint contribution)
Stelzl LS and Hummer G (2017) Kinetics from replica exchange molecular dynamics simulations. J Chem Theory Comput, 13:3927–3935 Link
Stelzl LS, Kells A, Rosta E and Hummer G (2017) Dynamic histogram analysis to determine free energies and rates from biased simulations. J Chem Theory Comput, 13:6328–6342 Link
2015
Grabarczyk DB, Chappell PE, Johnson S, Stelzl LS, Lea SM and Berks BC (2015) Structural basis for specificity and promiscuity in a carrier protein/enzyme system from the sulfur cycle. Proc Natl Acad Sci USA, 112:E7166–E7175 Link
2014
Stelzl LS, Fowler PW, Sansom MSP and Beckstein O (2014) Flexible gates generate occluded intermediates in the transport cycle of LacY. J Mol Biol, 426:735–751 Link
2012
Mavridou DAI, Stelzl LS, Ferguson SJ and Redfield C (2012) 1H, 13C and 15N resonance assignments for the oxidized and reduced states of the N-terminal domain of DsbD from Escherichia coli. Biomol NMR Assign, 6:163–167 Link