@article{UBHD-68659859, author={Acebrón, Iván and Righetto, Ricardo D and Schoenherr, Christina and Buhr, Svenja de and Redondo, Pilar and Culley, Jayne and Rodríguez, Carlos F and Daday, Csaba and Biyani, Nikhil and Llorca, Oscar and Byron, Adam and Chami, Mohamed and Gr{\"a}ter, Frauke and Boskovic, Jasminka and Frame, Margaret C and Stahlberg, Henning and Lietha, Daniel}, title={Structural basis of focal adhesion kinase activation on lipid membranes}, year={2020}, language={eng}, issn={1460-2075}, volume={39(2020}, note={Gesehen am 11.11.2020}, journal={The EMBO journal}, doi={10.15252/embj.2020104743}, } @article{UBHD-68204499, author={Aponte-Santamaria, Camilo and Huck, Volker and Gr{\"a}ssle, Sandra and Brehm, Maria A. and Obser, Tobias and Schneppenheim, Reinhard and Schneider, Stefan W. and Baldauf, Carsten and Gr{\"a}ter, Frauke}, title={Force-sensitive autoinhibition of the von Willebrand factor is mediated by interdomain interactions}, year={2015}, pages={2312-2321}, language={eng}, issn={1542-0086}, volume={108}, number={9}, note={Gesehen am 19.12.2017}, journal={Biophysical journal}, doi={10.1016/j.bpj.2015.03.041}, } @article{UBHD-68279592, author={Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke}, title={Mutation G1629E increases von Willebrand Factor cleavage via a cooperative destabilization mechanism}, year={2017}, pages={57-65}, language={eng}, issn={1542-0086}, volume={112}, number={1}, note={Available online 10 January 2017 ; Gesehen am 02.07.2018}, journal={Biophysical journal}, doi={10.1016/j.bpj.2016.11.3202}, } @article{UBHD-68279585, author={Aponte-Santamaria, Camilo and Brunken, Jan and Gr{\"a}ter, Frauke}, title={Stress propagation through biological lipid bilayers in silico}, year={2017}, pages={13588-13591}, language={eng}, issn={1520-5126}, volume={139}, number={39}, note={Published online 30 August 2017 ; Gesehen am 02.07.2018}, journal={Journal of the American Chemical Society}, doi={10.1021/jacs.7b04724}, } @article{UBHD-68321611, author={Baldus, Ilona Beatrice and Gr{\"a}ter, Frauke}, title={Mechanical force can fine-tune redox potentials of disulfide bonds}, year={2012}, pages={622-629}, language={eng}, issn={1542-0086}, volume={102}, number={3}, note={Published online: December 16, 2011 ; Gesehen am 26.10.2018}, journal={Biophysical journal}, doi={10.1016/j.bpj.2011.12.039}, } @article{UBHD-68893869, author={Banterle, Niccolò and Nievergelt, Adrian P. and Buhr, Svenja de and Hatzopoulos, Georgios N. and Brillard, Charlène and Andany, Santiago and H{\"u}bscher, Tania and Sorgenfrei, Frieda A. and Schwarz, Ulrich S. and Gr{\"a}ter, Frauke and Fantner, Georg E. and G{\"o}nczy, Pierre}, title={Kinetic and structural roles for the surface in guiding SAS-6 self-assembly to direct centriole architecture}, year={2021}, pages={1-14}, language={eng}, issn={2041-1723}, volume={12}, number={Artikel-ID 6180}, note={Gesehen am 10.03.2022}, journal={Nature Communications}, doi={10.1038/s41467-021-26329-1}, } @article{UBHD-68424303, author={Bauer, Magnus Sebastian and Baumann, Fabian and Daday, Csaba and Redondo, Pilar and Durner, Ellis and Jobst, Markus Andreas and Milles, Lukas Frederik and Mercadante, Davide and Pippig, Diana Angela and Gaub, Hermann Eduard and Gr{\"a}ter, Frauke and Lietha, Daniel}, title={Structural and mechanistic insights into mechanoactivation of focal adhesion kinase}, year={2019}, pages={6766-6774}, language={eng}, issn={1091-6490}, volume={116}, number={14}, note={Gesehen am 27.08.2019}, journal={Proceedings of the National Academy of Sciences of the United States of America}, doi={10.1073/pnas.1820567116}, } @article{UBHD-67892588, author={Brehm, Maria A. and Huck, Volker and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke and Schneider, Stefan W.}, title={Von Willebrand disease type 2A phenotypes IIC, IID and IIE}, subtitle={a day in the life of shear-stressed mutant von Willebrand factor}, year={2014}, pages={96-108}, language={eng}, issn={2567-689X}, volume={112}, number={1}, note={Gesehen am: 27.10.2015}, journal={Thrombosis and haemostasis}, doi={10.1160/TH13-11-0902}, } @book{UBHD-69042283, author={Buhr, Jannik and Franz, Florian and Gr{\"a}ter, Frauke}, title={Intrinsically disordered region of talin’s FERM domain functions as an initial PIP2 recognition site [research data]}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2023}, pages={1 Online-Ressource (4 Files)}, language={eng}, note={Im Titel ist die Zahl 2 tiefgestellt ; Gesehen am 15.02.2023}, doi={10.11588/data/BQTQUN}, url={https://doi.org/10.11588/data/BQTQUN}, library={UB}, } @article{UBHD-69083604, author={Buhr, Jannik and Franz, Florian and Gr{\"a}ter, Frauke}, title={Intrinsically disordered region of talin’s FERM domain functions as an initial PIP2 recognition site}, year={2023}, pages={1277-1286}, language={eng}, issn={1542-0086}, volume={122}, number={7 vom: Apr.}, note={Online verf{\"u}gbar 22. Februar 2023, Artikelversion 4. April 2023 ; Im Titel ist die Zahl 2 tiefgestellt ; Gesehen am 09.06.2023}, journal={Biophysical journal}, doi={10.1016/j.bpj.2023.02.020}, } @book{UBHD-68893866, author={Buhr, Svenja de and Gr{\"a}ter, Frauke}, title={Dual kinetic and structural role for the surface in guiding SAS-6 self-assembly to direct centriole architecture [data]}, subtitle={coarse-grained molecular dynamics simulation data}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2021}, pages={1 Online-Ressource (7 Files)}, language={eng}, note={Gesehen am 10.03.2022}, doi={10.11588/data/3NKHAY}, url={https://doi.org/10.11588/data/3NKHAY}, library={UB}, } @article{UBHD-69217583, author={Buhr, Svenja de and Gr{\"a}ter, Frauke}, title={Myristoyl’s dual role in allosterically regulating and localizing Abl kinase}, year={2023}, pages={1-17}, language={eng}, issn={2050-084X}, volume={12}, number={Artikel-ID e85216}, note={Ver{\"o}ffentlicht: 16. Oktober 2023, Artikelversion: 1. November 2023 ; Gesehen am 27.05.2024}, journal={eLife}, doi={10.7554/eLife.85216}, } @article{UBHD-69049288, author={Cheng, Shanmei and Edwards, Scott A. and Jiang, Yindi and Gr{\"a}ter, Frauke}, title={Glycosylation enhances peptide hydrophobic collapse by impairing solvation}, year={2010}, pages={2367-2374}, language={eng}, issn={1439-7641}, volume={11}, number={11}, note={Gesehen am 08.03.2023}, journal={ChemPhysChem}, doi={10.1002/cphc.201000205}, } @article{UBHD-69048801, author={Cheng, Shanmei and Cetinkaya, Murat and Gr{\"a}ter, Frauke}, title={How sequence determines elasticity of disordered proteins}, year={2010}, pages={3863-3869}, language={eng}, issn={1542-0086}, volume={99}, number={12}, note={Gesehen am 07.03.2023}, journal={Biophysical journal}, doi={10.1016/j.bpj.2010.10.011}, } @article{UBHD-68322680, author={Chen, Jian and Gr{\"a}ter, Frauke}, title={On the cis to trans isomerization of prolyl-peptide bonds under tension}, year={2012}, pages={9346-9351}, language={eng}, issn={1520-5207}, volume={116}, number={31}, note={Gesehen am 29.10.2018}, journal={The journal of physical chemistry}, doi={10.1021/jp3042846}, } @article{UBHD-69008502, author={Chen, Po-chia and Kutzki, Fabian and Mojzisch, Angelika and Simon, Bernd and Xu, Emma-Ruoqi and Aponte-Santamaria, Camilo and Horny, Kai and Jeffries, Cy and Schneppenheim, Reinhard and Wilmanns, Matthias and Brehm, Maria A. and Gr{\"a}ter, Frauke and Hennig, Janosch}, title={Structure and dynamics of the von Willebrand factor C6 domain}, year={2022}, pages={1-11}, language={eng}, issn={1095-8657}, volume={214}, note={Gesehen am 08.11.2023}, journal={Journal of structural biology}, doi={10.1016/j.jsb.2022.107923}, } @article{UBHD-68311163, author={Costescu, Bogdan and Sturm, Sebastian and Gr{\"a}ter, Frauke}, title={Dynamic disorder can explain non-exponential kinetics of fast protein mechanical unfolding}, year={2017}, pages={43-49}, language={eng}, issn={1095-8657}, volume={197}, number={1}, note={Available online 19 October 2016 ; Gesehen am 02.10.2018}, journal={Journal of structural biology}, doi={10.1016/j.jsb.2016.10.003}, } @article{UBHD-68672724, author={Cruz-Chú, Eduardo Roberto and Villegas-Rodríguez, Gonzalo J. and J{\"a}ger, Tobias and Valentini, Luca and Pugno, Nicola M. and Gkagkas, Konstantinos and Gr{\"a}ter, Frauke}, title={Mechanical characterization and induced crystallization in nanocomposites of thermoplastics and carbon nanotubes}, year={2020}, pages={11 S.}, language={eng}, issn={2057-3960}, volume={6(2020) Artikel-Nummer 151}, number={11 Seiten}, note={Gesehen am 14.12.2020}, journal={npj computational materials}, doi={10.1038/s41524-020-00420-5}, } @article{UBHD-68241419, author={Cruz-Chú, Eduardo Roberto and Patil, Sandeep Parasharam and Gr{\"a}ter, Frauke}, title={Organic filling mitigates flaw-sensitivity of nanoscale aragonite}, year={2017}, pages={260-268}, language={eng}, issn={2373-9878}, volume={3}, number={3}, note={Published online: December 23, 2016 ; Gesehen am 10.04.2018}, journal={ACS biomaterials science & engineering}, doi={10.1021/acsbiomaterials.6b00504}, } @article{UBHD-68393946, author={Daday, Csaba and Mateyka, Laura and Gr{\"a}ter, Frauke}, title={How ARVC-related mutations destabilize desmoplakin}, subtitle={an MD study}, year={2019}, pages={831-835}, language={eng}, issn={1542-0086}, volume={116}, number={5}, note={Gesehen am 29.05.2019}, journal={Biophysical journal}, doi={10.1016/j.bpj.2019.01.023}, } @article{UBHD-68902483, author={Daday, Csaba and Buhr, Svenja de and Mercadante, Davide and Gr{\"a}ter, Frauke}, title={Mechanical force can enhance c-Src kinase activity by impairing autoinhibition}, year={2022}, pages={684-691}, language={eng}, issn={1542-0086}, volume={121}, number={5}, note={Gesehen am 05.04.2022}, journal={Biophysical journal}, doi={10.1016/j.bpj.2022.01.028}, } @incollection{UBHD-68255668, author={Daday, Csaba and Kolšek, Katra and Gr{\"a}ter, Frauke}, title={The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by molecular dynamics simulations}, language={eng}, note={Gesehen am 29.05.2018}, doi={10.1038/s41598-017-11017-2}, } @article{UBHD-69243271, author={Diedrich, Lucas and Brosz, Matthias and Abele, Tobias and Urbanek, Niklas and Steinke, Salome and Gr{\"a}ter, Frauke and G{\"o}pfrich, Kerstin and Aponte-Santamaria, Camilo}, title={Energetics and kinetics of membrane permeation of photoresists for bioprinting}, year={2024}, pages={1-16}, language={eng}, issn={1616-3028}, volume={34}, note={Zuerst ver{\"o}ffentlicht: 30. M{\"a}rz 2024 ; Gesehen am 14.08.2024}, journal={Advanced functional materials}, doi={10.1002/adfm.202315731}, } @article{UBHD-69104141, author={DuPuy-Montbrun, Alexandre and Aponte-Santamaria, Camilo and Yeheskel, Adva and Hortle, Elinor and Oehlers, Stefan H. and Gr{\"a}ter, Frauke and Hogg, Philip J. and Passam, Freda H. and Chiu, Joyce}, title={Mechano-redox control of Mac-1 de-adhesion by PDI promotes directional movement under flow}, year={2023}, pages={e151-e168}, language={eng}, issn={1524-4571}, volume={132}, number={9 vom: Apr.}, note={Online ver{\"o}ffentlicht am 6. April 2023 ; Gesehen am 05.12.2023}, journal={Circulation research}, doi={10.1161/CIRCRESAHA.122.321926}, } @article{UBHD-69087602, author={Ehret, Thomas and Heißenberg, Tim and Buhr, Svenja de and Aponte-Santamaria, Camilo and Steinem, Claudia and Gr{\"a}ter, Frauke}, title={FERM domains recruit ample PI(4,5)P2s to form extensive protein-membrane attachments}, year={2023}, pages={1325-1333}, language={eng}, issn={1542-0086}, volume={122}, number={7 vom: Apr.}, note={Online verf{\"u}gbar 22. Februar 2023, Artikelversion 4. April 2023 ; Gesehen am 20.06.2023 ; Im Titel ist die Zahl 2 tiefgestellt}, journal={Biophysical journal}, doi={10.1016/j.bpj.2023.02.027}, } @article{UBHD-69320225, author={Elter, Maximilian and Brosz, Matthias and Sucerquia, Daniel and Kuzhelev, Andrei and Kiesewetter, Denis and Kurth, Markus and Dreuw, Andreas and Prisner, Thomas F. and Freudenberg, Jan and Bunz, Uwe H. F. and Gr{\"a}ter, Frauke}, title={Breaking strong alkynyl-phenyl bonds}, subtitle={poly(para-phenylene ethynylene)s under mechanical stress}, year={2024}, pages={27594-27599}, language={eng}, issn={1520-5126}, volume={146}, number={40}, note={Online ver{\"o}ffentlicht: 27. September 2024 ; Gesehen am 19.03.2025}, journal={Journal of the American Chemical Society}, doi={10.1021/jacs.4c08765}, } @article{UBHD-68668142, author={Franz, Florian and Daday, Csaba and Gr{\"a}ter, Frauke}, title={Advances in molecular simulations of protein mechanical properties and function}, year={2020}, pages={132-138}, language={eng}, volume={61}, note={Gesehen am 02.12.2020}, journal={Current opinion in structural biology}, doi={10.1016/j.sbi.2019.12.015}, } @article{UBHD-69127578, author={Franz, Florian and Tapia-Rojo, Rafael and Winograd-Katz, Sabina and Boujemaa-Paterski, Rajaa and Li, Wenhong and Unger, Tamar and Albeck, Shira and Aponte-Santamaria, Camilo and Garcia-Manyes, Sergi and Medalia, Ohad and Geiger, Benjamin and Gr{\"a}ter, Frauke}, title={Allosteric activation of vinculin by Talin}, year={2023}, pages={1-16}, language={eng}, issn={2041-1723}, volume={14}, number={Artikel-ID 4311}, note={Ver{\"o}ffentlicht: 18. Juli 2023 ; Gesehen am 06.10.2023}, journal={Nature Communications}, doi={10.1038/s41467-023-39646-4}, } @article{UBHD-68373660, author={Franz, Florian and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke}, title={Stability of biological membranes upon mechanical indentation}, year={2018}, pages={7073-7079}, language={eng}, issn={1520-5207}, volume={122}, number={28}, note={Gesehen am 27.03.2019}, journal={The journal of physical chemistry}, doi={10.1021/acs.jpcb.8b01861}, } @article{UBHD-68411758, author={Friedman, Ran and Gr{\"a}ter, Frauke}, title={Understanding conformational dynamics of complex lipid mixtures relevant to biology}, year={2018}, pages={609-631}, language={eng}, issn={1432-1424}, volume={251}, number={5}, note={Gesehen am 24.07.2019}, journal={The journal of membrane biology}, doi={10.1007/s00232-018-0050-y}, } @article{UBHD-68257166, author={Fuertes, Gustavo and Mercadante, Davide and Gr{\"a}ter, Frauke and Lemke, Edward A.}, title={Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements}, year={2017}, pages={E6342-E6351}, language={eng}, issn={1091-6490}, volume={114}, number={31}, note={Gesehen am 04.06.2018}, journal={Proceedings of the National Academy of Sciences of the United States of America}, doi={10.1073/pnas.1704692114}, } @article{UBHD-69044521, author={Geisler, Michael and Xiao, Senbo and Puchner, Elias M. and Gr{\"a}ter, Frauke and Hugel, Thorsten}, title={Controlling the structure of proteins at surfaces}, year={2010}, pages={17277-17281}, language={eng}, issn={1520-5126}, volume={132}, number={48}, note={Gesehen am 24.02.2023}, journal={Journal of the American Chemical Society}, doi={10.1021/ja107212z}, } @article{UBHD-67907454, author={Gr{\"a}ssle, Sandra and Huck, Volker and Pappelbaum, Karin and Gorzelanny, Christian and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke and Schneider, Stefan W.}, title={Von Willebrand Factor directly interacts with DNA from neutrophil extracellular traps}, year={2014}, pages={1382-1389}, language={eng}, issn={1524-4636}, volume={34}, number={7}, note={Gesehen am: 25.11.2015}, journal={Arteriosclerosis, thrombosis, and vascular biology}, doi={10.1161/ATVBAHA.113.303016}, } @book{UBHD-69196452, author={Gr{\"a}ter, Frauke and Franz, Florian and Winograd-Katz, Sabina and Tapia-Rojo, Rafael and Boujemaa-Paterski, Rajaa and Li, Wenhong and Unger, Tamar and Albeck, Shira and Aponte-Santamaria, Camilo and Garcia-Manyes, Sergi and Medalia, Ohad and Geiger, Benjamin}, title={Allosteric activation of vinculin by Talin [data]}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2023}, pages={1 Online-Ressource (11 Files)}, language={eng}, note={Gesehen am 02.04.2024}, doi={10.11588/data/WZDKT6}, url={https://doi.org/10.11588/data/WZDKT6}, library={UB}, } @article{UBHD-69116137, author={Gr{\"a}ter, Frauke}, title={Sollbruchstellen}, subtitle={Proteine auf der Streckbank}, year={2023}, pages={58-65}, language={ger}, volume={22}, note={Gesehen am 25.08.2023}, journal={Ruperto Carola}, editor={Pfeiffer, Thomas}, doi={10.17885/heiup.ruca.2023.22.24824}, url={https://dx.doi.org/10.17885/heiup.ruca.2023.22.24824}, library={UB}, } @incollection{UBHD-68639411, author={Gr{\"a}ter, Frauke}, title={Strained molecules}, subtitle={insights from force distribution analysis}, year={2011}, pages={301-310}, language={eng}, isbn={978-3-527-63642-6 and 1-283-86977-2 and 3-527-63642-0 and 978-3-527-63641-9 and 3-527-63641-2 and 978-3-527-63643-3 and 3-527-63643-9 and 978-3-527-63640-2 and 3-527-63640-4 and 978-1-283-86977-5}, note={Gesehen am 22.09.2020}, booktitle={Modeling of molecular properties}, doi={10.1002/9783527636402.ch19}, } @incollection{UBHD-68583270, author={Gr{\"a}ter, Frauke and Li, Wenjin}, title={Studying functional disulphide bonds by computer simulations}, year={2019}, pages={87-113}, language={eng}, isbn={978-1-4939-9187-7}, note={Gesehen am 03.06.2020}, booktitle={Functional disulphide bonds}, editor={Hogg, Philip J.}, doi={10.1007/978-1-4939-9187-7_6}, } @article{UBHD-69005568, author={Gruber, Sophia and L{\"o}f, Achim and Hausch, Adina and Kutzki, Fabian and J{\"o}hr, Res and Obser, Tobias and K{\"o}nig, Gesa and Schneppenheim, Reinhard and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke and Brehm, Maria A. and Benoit, Martin and Lipfert, Jan}, title={A conformational transition of the D′D3 domain primes von Willebrand factor for multimerization}, year={2022}, pages={5198-5209}, language={eng}, issn={2473-9537}, volume={6}, number={17}, note={Gesehen am 12.01.2023}, journal={Blood advances}, doi={10.1182/bloodadvances.2022006978}, } @article{UBHD-68489601, author={Herrera Rodríguez, Ana María and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke}, title={Molecular dynamics simulations of molecules in uniform flow}, year={2019}, pages={1579-1585}, language={eng}, issn={1542-0086}, volume={116}, number={9}, note={Gesehen am 17.02.2020}, journal={Biophysical journal}, doi={10.1016/j.bpj.2018.12.025}, } @article{UBHD-69163267, author={Herrera Rodríguez, Ana María and Dasanna, Anil Kumar and Daday, Csaba and Cruz-Chú, Eduardo R. and Aponte-Santamaría, Camilo and Schwarz, Ulrich S. and Gr{\"a}ter, Frauke}, title={The role of flow in the self-assembly of dragline spider silk proteins}, year={2023}, pages={4241-4253}, language={eng}, issn={1542-0086}, volume={122}, number={21}, note={Online verf{\"u}gbar 5 October 2023, Version des Artikels 7 November 2023 ; Gesehen am 19.01.2024}, journal={Biophysical journal}, doi={10.1016/j.bpj.2023.09.020}, } @article{UBHD-68475281, author={Higham, Jonathan and Chou, Szu-Yu and Gr{\"a}ter, Frauke and Henchman, Richard H.}, title={Entropy of flexible liquids from hierarchical force-torque covariance and coordination}, subtitle={Thermodynamics 2017 Conference}, year={2018}, pages={1965-1976}, language={eng}, issn={1362-3028}, volume={116}, number={15-16}, note={Published online: 30 Apr 2018 ; Gesehen am 14.01.2020}, journal={Molecular physics}, doi={10.1080/00268976.2018.1459002}, } @article{UBHD-69134003, author={Huck, Volker and Chen, Po-Chia and Xu, Emma-Ruoqi and Tischer, Alexander and Klemm, Ulrike and Aponte-Santamaría, Camilo and Meß, Christian and Obser, Tobias and Kutzki, Fabian and K{\"o}nig, Gesa and Denis, Cécile V. and Gr{\"a}ter, Frauke and Wilmanns, Matthias and Auton, Matthew and Schneider, Stefan W. and Schneppenheim, Reinhard and Hennig, Janosch and Brehm, Maria A.}, title={Gain-of-function variant p.Pro2555Arg of von Willebrand factor increases aggregate size through altering stem dynamics}, year={2022}, pages={226-239}, language={eng}, issn={2567-689X}, volume={122}, number={2}, note={Online ver{\"o}ffentlicht: 14. April 2021 ; Gesehen am 26.10.2023}, journal={Thrombosis and haemostasis}, doi={10.1055/a-1344-4405}, } @article{UBHD-68323674, author={Imber, Marcel and Th{\"a}richen, Lena and Kolšek, Katra and Gr{\"a}ter, Frauke}, title={Protein S-Bacillithiolation functions in thiol protection and redox regulation of the glyceraldehyde-3-phosphate dehydrogenase Gap in Staphylococcus aureus under hypochlorite stress}, year={2018}, pages={410-430}, language={eng}, issn={1557-7716}, volume={28}, number={6}, note={Published online: 2017 Jan 18 ; Gesehen am 31.10.2018}, journal={Antioxidants & redox signaling}, doi={10.1089/ars.2016.6897}, } @article{UBHD-68760096, author={Jin, Fan and Gr{\"a}ter, Frauke}, title={How multisite phosphorylation impacts the conformations of intrinsically disordered proteins}, year={2021}, pages={1-19}, language={eng}, issn={1553-7358}, volume={17}, note={Gesehen am 14.07.2021}, journal={PLoS Computational Biology}, doi={10.1371/journal.pcbi.1008939}, } @article{UBHD-68999343, author={Kemmer, Isabel M. and Nava, Michele M. and Wickstr{\"o}m, Sara A. and Gr{\"a}ter, Frauke}, title={ATP allosterically stabilizes integrin-linked kinase for efficient force generation}, year={2022}, pages={1-11}, language={eng}, issn={1091-6490}, volume={119}, note={Gesehen am 19.12.2022}, journal={Proceedings of the National Academy of Sciences of the United States of America}, doi={10.1073/pnas.2106098119}, } @article{UBHD-68963710, author={Kemmer, Isabel M. and Aponte-Santamaria, Camilo and Schmidt, Lisa and Hedtfeld, Marius and Iusupov, Adel and Musacchio, Andrea and Gr{\"a}ter, Frauke}, title={Phosphorylation tunes elongation propensity and cohesiveness of INCENP’s intrinsically disordered region}, year={2022}, pages={1-18}, language={eng}, issn={1089-8638}, volume={434}, note={Available online 6 December 2021, Version of record 5 January 2022 ; Part of special issue: Protein Interactions in Liquid-Liquid Phase Separation ; Gesehen am 13.09.2022}, journal={Journal of molecular biology}, doi={10.1016/j.jmb.2021.167387}, } @article{UBHD-68322691, author={Kolšek, Katra and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke}, title={Accessibility explains preferred thiol-disulfide isomerization in a protein domain}, year={2017}, pages={10 S.}, language={eng}, issn={2045-2322}, volume={7}, number={Artikel-ID 9858}, note={Gesehen am 29.10.2018}, journal={Scientific reports}, doi={10.1038/s41598-017-07501-4}, } @article{UBHD-69126923, author={Kutzki, Fabian and Butera, Diego and Lay, Angelina J. and Maag, Denis and Chiu, Joyce and Woon, Heng-Giap and Kubař, Tomáš and Elstner, Marcus and Aponte-Santamaria, Camilo and Hogg, Philip J. and Gr{\"a}ter, Frauke}, title={Disulfide bond reduction and exchange in C4 domain of von Willebrand factor undermines platelet binding}, year={2023}, pages={2089-2100}, language={eng}, issn={1538-7836}, volume={21}, number={8 vom: Aug.}, note={Online verf{\"u}gbar: 12. April 2023, Artikelversion: 17. Juli 2023 ; Gesehen am 05.10.2023}, journal={Journal of thrombosis and haemostasis}, doi={10.1016/j.jtha.2023.03.039}, } @article{UBHD-68321236, author={Li, Wenjin and Gr{\"a}ter, Frauke}, title={Exploring the multi-dimensional free energy surface of phosphoester hydrolysis with constrained QM/MM dynamics}, year={2012}, pages={3596-3604}, language={eng}, issn={1549-9626}, volume={8}, number={10}, note={Published online 29 May 2012 ; Gesehen am 25.10.2018}, journal={Journal of chemical theory and computation}, doi={10.1021/ct300022m}, } @book{UBHD-69277341, author={Mainik, Philipp and Aponte-Santamaria, Camilo and Fladung, Magdalena and Curticean, Ernest Ronald and Wacker, Irene and Hofhaus, G{\"o}tz and Bastmeyer, Martin and Schr{\"o}der, Rasmus R. and Gr{\"a}ter, Frauke and Blasco, Eva}, title={Responsive 3D printed microstructures based on collagen folding and unfolding [data]}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2024}, pages={1 Online-Ressource (5 Files)}, language={eng}, note={Gef{\"o}rdert durch: DFG Excellence Cluster “3D Matter Made to Order”: EXC-2082/1-390761711; Carl Zeiss Foundation: FocusHEiKA; Klaus Tschira Foundation; DFG grant: INST 35/1597-1 FUGG; DFG grant: INST 35/1503-1 FUGG ; Gesehen am 27.11.2024}, doi={10.11588/data/WTFEHF}, url={https://doi.org/10.11588/data/WTFEHF}, library={UB}, } @article{UBHD-69358208, author={Mainik, Philipp and Aponte-Santamaria, Camilo and Fladung, Magdalena and Curticean, Ernest Ronald and Wacker, Irene and Hofhaus, G{\"o}tz and Bastmeyer, Martin and Schr{\"o}der, Rasmus R. and Gr{\"a}ter, Frauke and Blasco, Eva}, title={Responsive 3D printed microstructures based on collagen folding and unfolding}, year={2025}, pages={1-10}, language={eng}, issn={1613-6829}, volume={21}, note={Gesehen am 23.06.2025 ; Ver{\"o}ffentlicht: 27 November 2024}, journal={Small}, doi={10.1002/smll.202408597}, } @article{UBHD-68239016, author={Mercadante, Davide and Gr{\"a}ter, Frauke and Daday, Csaba}, title={CONAN}, subtitle={a tool to decode dynamical information from molecular interaction maps}, year={2018}, pages={1267-1273}, language={eng}, issn={1542-0086}, volume={114}, number={6}, note={Gesehen am 04.04.2018}, journal={Biophysical journal}, doi={10.1016/j.bpj.2018.01.033}, } @article{UBHD-68582179, author={Mercadante, Davide and Gr{\"a}ter, Frauke}, title={Kirkwood-Buff approach rescues overcollapse of a disordered protein in canonical protein force fields}, year={2015}, pages={7975-7984}, language={eng}, issn={1520-5207}, volume={119}, number={25}, note={Gesehen am 29.05.2020}, journal={The journal of physical chemistry}, doi={10.1021/acs.jpcb.5b03440}, } @article{UBHD-68309268, author={Mercadante, Davide and Wagner, Johannes Andreas and Aramburu, Iker Valle and Lemke, Edward A. and Gr{\"a}ter, Frauke}, title={Sampling long- versus short-range interactions defines the ability of force fields to reproduce the dynamics of intrinsically disordered proteins}, year={2017}, pages={3964-3974}, language={eng}, issn={1549-9626}, volume={13}, number={9}, note={Gesehen am 26.09.2018}, journal={Journal of chemical theory and computation}, doi={10.1021/acs.jctc.7b00143}, } @article{UBHD-67888284, author={Milles, Sigrid and Mercadante, Davide and Gr{\"a}ter, Frauke}, title={Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors}, year={2015}, language={eng}, issn={1097-4172}, volume={163(2015) 12 S.}, note={Gesehen am 19.10.2015}, journal={Cell}, doi={10.1016/j.cell.2015.09.047}, } @article{UBHD-68799978, author={Obarska-Kosinska, Agnieszka and Rennekamp, Benedikt and {\"U}nal, Aysecan and Gr{\"a}ter, Frauke}, title={ColBuilder}, subtitle={a server to build collagen fibril models}, year={2021}, pages={3544-3549}, language={eng}, issn={1542-0086}, volume={120}, number={17}, note={Gesehen am 10.11.2021}, journal={Biophysical journal}, doi={10.1016/j.bpj.2021.07.009}, } @article{UBHD-68490696, author={Passam, Freda and Kolšek, Katra and Th{\"a}richen, Lena and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke}, title={Mechano-redox control of integrin de-adhesion}, year={2018}, pages={22 S.}, language={eng}, issn={2050-084X}, volume={7(2018) Artikel-Nummer e34843}, number={22 Seiten}, note={Gesehen am 04.08.2020}, journal={eLife}, doi={10.7554/eLife.34843}, } @article{UBHD-68594844, author={Peralta, David and Bronowska, Agnieszka K. and Morgan, Bruce and Dóka, Éva and Van Laer, Koen and Nagy, Péter and Gr{\"a}ter, Frauke and Dick, Tobias P.}, title={A proton relay enhances H2O2 sensitivity of GAPDH to facilitate metabolic adaptation}, year={2015}, pages={156-163}, language={eng}, issn={1552-4469}, volume={11}, number={2}, note={Im Titel ist die Zahl 2 tiefgestellt ; Gesehen am 01.07.2020}, journal={Nature chemical biology}, doi={10.1038/nchembio.1720}, } @article{UBHD-68323694, author={Poschen, Sandra and Aponte-Santamaria, Camilo and Gr{\"a}ter, Frauke}, title={Mutual A domain interactions in the force sensing protein von Willebrand factor}, year={2017}, pages={57-64}, language={eng}, issn={1095-8657}, volume={197}, number={1}, note={Published online: 23 April 2016 ; Gesehen am 31.10.2018}, journal={Journal of structural biology}, doi={10.1016/j.jsb.2016.04.012}, } @article{UBHD-68578683, author={Putzu, Marina and Gr{\"a}ter, Frauke}, title={On the mechanism of spontaneous thiol-disulfide exchange in proteins}, year={2018}, pages={16222-16230}, language={eng}, issn={1463-9084}, volume={20}, number={23}, note={Gesehen am 18.05.2020}, journal={Physical chemistry, chemical physics}, doi={10.1039/C8CP01325J}, } @article{UBHD-68394002, author={Ray, Arjun and Gr{\"a}ter, Frauke and Thukral, Lipi}, title={Probing molecular forces in multi-component physiological membranes}, year={2018}, pages={2155-2161}, language={eng}, issn={1463-9084}, volume={20}, number={4}, note={First published on 27 Nov 2017 ; Gesehen am 29.05.2019}, journal={Physical chemistry, chemical physics}, doi={10.1039/C7CP05981G}, } @article{UBHD-69115130, author={Rennekamp, Benedikt and Karfusehr, Christoph and Kurth, Markus and {\"U}nal, Aysecan and Monego, Debora and Riedmiller, Kai and Gryn’ova, Ganna and Hudson, David M. and Gr{\"a}ter, Frauke}, title={Collagen breaks at weak sacrificial bonds taming its mechanoradicals}, year={2023}, pages={1-11}, language={eng}, issn={2041-1723}, volume={14}, number={Artikel-ID 2075}, note={Gesehen am 22.08.2023}, journal={Nature Communications}, doi={10.1038/s41467-023-37726-z}, url={https://doi.org/10.1038/s41467-023-37726-z}, library={UB}, } @book{UBHD-69056037, author={Rennekamp, Benedikt and Gr{\"a}ter, Frauke}, title={Collagen breaks at weak sacrificial bonds taming its mechanoradicals [data]}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2023}, pages={1 Online-Ressource (23 Files)}, language={eng}, note={Gesehen am 27.03.2023}, doi={10.11588/data/HJ6SVM}, url={https://doi.org/10.11588/data/HJ6SVM}, library={UB}, } @incollection{UBHD-69056040, author={Rennekamp, Benedikt and Karfusehr, Christoph and Kurth, Markus and {\"U}nal, Aysecan and Riedmiller, Kai and Gryn’ova, Ganna and Hudson, David M. and Gr{\"a}ter, Frauke}, title={Collagen breaks at weak sacrificial bonds taming its mechanoradicals}, year={2022}, pages={1-17}, language={eng}, note={Gesehen am 27.03.2023}, booktitle={bioRxiv beta}, doi={10.1101/2022.10.17.512491}, } @article{UBHD-69345624, author={Rennekamp, Benedikt and Grubm{\"u}ller, Helmut and Gr{\"a}ter, Frauke}, title={Hidden length lets collagen buffer mechanical and chemical stress}, year={2024}, pages={1-18}, language={eng}, issn={2470-0053}, volume={110}, note={Gesehen am 16.05.2025}, journal={Physical review}, doi={10.1103/PhysRevE.110.054408}, } @book{UBHD-68994654, author={Riedmiller, Kai and Treyde, Wojtek and Gr{\"a}ter, Frauke}, title={Bond dissociation energies of X-H bonds in proteins [data]}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2022}, pages={1 Online-Ressource (1.641 Files)}, language={eng}, note={Gesehen am 08.12.2022}, doi={10.11588/data/AA3UAQ}, url={https://doi.org/}, library={UB}, } @incollection{UBHD-69041249, author={Riedmiller, Kai and Reiser, Patrick and Bobkova, Elizaveta and Maltsev, Kiril and Gryn’ova, Ganna and Friederich, Pascal and Gr{\"a}ter, Frauke}, title={Predicting reaction barriers of hydrogen atom transfer in proteins}, edition={Version 1}, year={2023}, pages={1-8}, language={eng}, note={Gesehen am 14.02.2023}, booktitle={ChemRxiv}, doi={10.26434/chemrxiv-2023-7hntk}, } @book{UBHD-69041233, author={Riedmiller, Kai and Reiser, Patrick and Bobkova, Elizaveta and Maltsev, Kiril and Gryn’ova, Ganna and Friederich, Pascal and Gr{\"a}ter, Frauke}, title={Predicting reaction barriers of hydrogen atom transfer in proteins [data]}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2023}, pages={1 Online-Ressource (4 Files)}, language={eng}, note={Gesehen am 14.02.2023}, doi={10.11588/data/TGDD4Y}, url={https://doi.org/10.11588/data/TGDD4Y}, library={UB}, } @article{UBHD-69195811, author={Riedmiller, Kai and Reiser, Patrick and Bobkova, Elizaveta and Maltsev, Kiril and Gryn’ova, Ganna and Friederich, Pascal and Gr{\"a}ter, Frauke}, title={Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins}, year={2024}, pages={2518-2527}, language={eng}, issn={2041-6539}, volume={15}, number={7}, note={Gesehen am 27.03.2024}, journal={Chemical science}, doi={10.1039/D3SC03922F}, } @incollection{UBHD-69166891, author={Roessner, Rita and Michelarakis, Nicholas and Gr{\"a}ter, Frauke and Aponte-Santamaria, Camilo}, title={Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites}, year={2023}, pages={1-20}, language={eng}, note={Gesehen am 29.01.2024}, booktitle={bioRxiv beta}, doi={10.1101/2023.07.31.550984}, } @book{UBHD-69166887, author={Roessner, Rita and Michelarakis, Nicholas and Gr{\"a}ter, Frauke and Aponte-Santamaria, Camilo}, title={Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites [data]}, publisher={Universit{\"a}t}, address={Heidelberg}, year={2023}, pages={1 Online-Ressource (5 Files)}, language={eng}, note={Gesehen am 29.01.2024}, doi={10.11588/data/EZHMDU}, url={https://doi.org/10.11588/data/EZHMDU}, library={UB}, } @article{UBHD-68321607, author={Seifert, Christian and Gr{\"a}ter, Frauke}, title={Force distribution reveals signal transduction in E. coli Hsp90}, year={2012}, pages={2195-2202}, language={eng}, issn={1542-0086}, volume={103}, number={10}, note={Gesehen am 26.10.2018}, journal={Biophysical journal}, doi={10.1016/j.bpj.2012.09.008}, } @article{UBHD-68498129, author={Sheridan, Steven and Gr{\"a}ter, Frauke and Daday, Csaba}, title={How fast is too fast in force-probe molecular dynamics simulations?}, year={2019}, pages={3658-3664}, language={eng}, issn={1520-5207}, volume={123}, number={17}, note={Published as part of "The journal of physical chemistry virtual" special issue "Young scientists" ; Gesehen am 10.03.2020}, journal={The journal of physical chemistry}, doi={10.1021/acs.jpcb.9b01251}, } @article{UBHD-68491147, author={Suman, Shashi Kumar and Daday, Csaba and Gr{\"a}ter, Frauke}, title={The plakin domain of C. elegans VAB-10/plectin acts as a hub in a mechanotransduction pathway to promote morphogenesis}, year={2019}, pages={13 S.}, language={eng}, issn={1477-9129}, volume={146(2019}, note={Gesehen am 19.02.2020}, journal={Development}, doi={10.1242/dev.183780}, } @article{UBHD-68387937, author={Tan, Piau Siong and Mercadante, Davide and Gr{\"a}ter, Frauke}, title={Two differential binding mechanisms of FG-nucleoporins and nuclear transport receptors}, year={2018}, pages={3660-3671}, language={eng}, issn={2211-1247}, volume={22}, number={13}, note={Gesehen am 08.05.2019}, journal={Cell reports}, doi={10.1016/j.celrep.2018.03.022}, } @article{UBHD-69028372, author={Treyde, Wojtek and Riedmiller, Kai and Gr{\"a}ter, Frauke}, title={Bond dissociation energies of X-H bonds in proteins}, year={2022}, pages={34557-34564}, language={eng}, issn={2046-2069}, volume={12}, number={53}, note={Gesehen am 31.01.2023}, journal={RSC Advances}, doi={10.1039/D2RA04002F}, } @article{UBHD-68017781, author={Tursch, Anja and Mercadante, Davide and Tennigkeit, Jutta and Gr{\"a}ter, Frauke and {\"O}zbek, Suat}, title={Minicollagen cysteine-rich domains encode distinct modes of polymerization to form stable nematocyst capsules}, year={2016}, language={eng}, issn={2045-2322}, volume={6(2016) Artikel-Nummer 25709}, number={11 Seiten}, note={Gesehen am 16.08.2016}, journal={Scientific reports}, doi={10.1038/srep25709}, url={http://dx.doi.org/10.1038/srep25709}, library={UB}, } @article{UBHD-68591633, author={Wagner, Johannes Andreas and Mercadante, Davide and Nikić-Spiegel, Ivana and Lemke, Edward A. and Gr{\"a}ter, Frauke}, title={Origin of orthogonality of strain-promoted click reactions}, year={2015}, pages={12431-12435}, language={eng}, issn={1521-3765}, volume={21}, number={35}, note={Gesehen am 26.06.2020}, journal={Chemistry - a European journal}, doi={10.1002/chem.201501727}, } @article{UBHD-68282734, author={Wagner, Johannes Andreas and Gr{\"a}ter, Frauke}, title={Stress-induced long-range ordering in spider silk}, year={2017}, pages={6 S.}, language={eng}, issn={2045-2322}, volume={7(2017) Artikel-Nummer 15273}, number={6 Seiten}, note={Gesehen am 05.07.2017}, journal={Scientific reports}, doi={10.1038/s41598-017-15384-8}, } @article{UBHD-68621785, author={Xiao, Senbo and Gr{\"a}ter, Frauke}, title={Molecular basis of the mechanical hierarchy in myomesin dimers for sarcomere integrity}, year={2014}, pages={965-973}, language={eng}, issn={1542-0086}, volume={107}, number={4}, note={Gesehen am 29.07.2020}, journal={Biophysical journal}, doi={10.1016/j.bpj.2014.06.043}, } @article{UBHD-68364608, author={Xu, Emma-Ruoqi and B{\"u}low, S{\"o}ren von and Aponte-Santamaria, Camilo and Simon, Bernd and Gr{\"a}ter, Frauke and Hennig, Janosch}, title={Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor}, year={2019}, pages={366-376}, language={eng}, issn={1528-0020}, volume={133}, number={4}, note={Prepublished online as Blood first edition paper, 10 October 2018 ; Gesehen am 21.04.2020}, journal={Blood}, doi={10.1182/blood-2018-04-843615}, } @article{UBHD-68642364, author={Zapp, Christopher and Obarska-Kosinska, Agnieszka and Rennekamp, Benedikt and Kurth, Markus and Hudson, David M. and Mercadante, Davide and Barayeu, Uladzimir and Dick, Tobias P. and Denysenkov, Vasyl and Prisner, Thomas and Bennati, Marina and Daday, Csaba and Kappl, Reinhard and Gr{\"a}ter, Frauke}, title={Mechanoradicals in tensed tendon collagen as a source of oxidative stress}, year={2020}, language={eng}, issn={2041-1723}, volume={11(2020) Artikel-Nummer 2315}, number={8 Seiten}, note={Gesehen am 02.10.2020}, journal={Nature Communications}, doi={10.1038/s41467-020-15567-4}, } @article{UBHD-68720809, author={Zha, Jinyin and Zhang, Yuwei and Xia, Kelin and Gr{\"a}ter, Frauke and Xia, Fei}, title={Coarse-grained simulation of mechanical properties of single microtubules with micrometer length}, year={2021}, pages={1-11}, language={eng}, issn={2296-889X}, volume={7}, number={Artikel-ID 632122}, note={Gesehen am 08.04.2021}, journal={Frontiers in molecular biosciences}, doi={10.3389/fmolb.2020.632122}, } @article{UBHD-68421539, author={Zhang, Yuwei and Gr{\"a}ter, Frauke}, title={A new method for the construction of coarse-grained models of large biomolecules from low-resolution cryo-electron microscopy data}, year={2019}, pages={9720-9727}, language={eng}, issn={1463-9084}, volume={21}, number={19}, note={Gesehen am 16.08.2019}, journal={Physical chemistry, chemical physics}, doi={10.1039/C9CP01370A}, } @article{UBHD-68292518, author={Zhou, Beifei and Hogg, Philip J. and Gr{\"a}ter, Frauke}, title={One-way allosteric communication between the two disulfide bonds in tissue factor}, year={2017}, pages={78-86}, language={eng}, issn={1542-0086}, volume={112}, number={1}, note={Gesehen am 06.08.2018}, journal={Biophysical journal}, doi={10.1016/j.bpj.2016.12.003}, } @article{UBHD-68626311, author={Zhou, Jing and Bronowska, Agnieszka and Le Coq, Johanne and Lietha, Daniel and Gr{\"a}ter, Frauke}, title={Allosteric regulation of focal adhesion kinase by PIP2 and ATP}, year={2015}, pages={698-705}, language={eng}, issn={1542-0086}, volume={108}, number={3}, note={Gesehen am 11.08.2020}, journal={Biophysical journal}, doi={10.1016/j.bpj.2014.11.3454}, }