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Best matches for Gräter F[au]:

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology. Friedman R et al. J Membr Biol. (2018)

Stress-induced long-range ordering in spider silk. Wagner JA et al. Sci Rep. (2017)

Molecular anatomy of a trafficking organelle. Takamori S et al. Cell. (2006)

Search results

Items: 1 to 50 of 92

1.

Studying Functional Disulphide Bonds by Computer Simulations.

Gräter F, Li W.

Methods Mol Biol. 2019;1967:87-113. doi: 10.1007/978-1-4939-9187-7_6.

PMID:
31069766
2.

A new method for the construction of coarse-grained models of large biomolecules from low-resolution cryo-electron microscopy data.

Zhang Y, Xia K, Cao Z, Gräter F, Xia F.

Phys Chem Chem Phys. 2019 May 15;21(19):9720-9727. doi: 10.1039/c9cp01370a.

PMID:
31025999
3.

Molecular Dynamics Simulations of Molecules in Uniform Flow.

Herrera-Rodríguez AM, Miletić V, Aponte-Santamaría C, Gräter F.

Biophys J. 2019 May 7;116(9):1579-1585. doi: 10.1016/j.bpj.2018.12.025. Epub 2019 Feb 8.

PMID:
30975453
4.

How Fast Is Too Fast in Force-Probe Molecular Dynamics Simulations?

Sheridan S, Gräter F, Daday C.

J Phys Chem B. 2019 May 2;123(17):3658-3664. doi: 10.1021/acs.jpcb.9b01251. Epub 2019 Apr 22.

PMID:
30970209
5.

Structural and mechanistic insights into mechanoactivation of focal adhesion kinase.

Bauer MS, Baumann F, Daday C, Redondo P, Durner E, Jobst MA, Milles LF, Mercadante D, Pippig DA, Gaub HE, Gräter F, Lietha D.

Proc Natl Acad Sci U S A. 2019 Apr 2;116(14):6766-6774. doi: 10.1073/pnas.1820567116. Epub 2019 Mar 15.

PMID:
30877242
6.

How ARVC-Related Mutations Destabilize Desmoplakin: An MD Study.

Daday C, Mateyka LM, Gräter F.

Biophys J. 2019 Mar 5;116(5):831-835. doi: 10.1016/j.bpj.2019.01.023. Epub 2019 Jan 30.

PMID:
30773294
7.

Inositol hexakisphosphate increases the size of platelet aggregates.

Brehm MA, Klemm U, Rehbach C, Erdmann N, Kolšek K, Lin H, Aponte-Santamaría C, Gräter F, Rauch BH, Riley AM, Mayr GW, Potter BVL, Windhorst S.

Biochem Pharmacol. 2019 Mar;161:14-25. doi: 10.1016/j.bcp.2018.12.011. Epub 2018 Dec 14.

8.

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology.

Friedman R, Khalid S, Aponte-Santamaría C, Arutyunova E, Becker M, Boyd KJ, Christensen M, Coimbra JTS, Concilio S, Daday C, van Eerden FJ, Fernandes PA, Gräter F, Hakobyan D, Heuer A, Karathanou K, Keller F, Lemieux MJ, Marrink SJ, May ER, Mazumdar A, Naftalin R, Pickholz M, Piotto S, Pohl P, Quinn P, Ramos MJ, Schiøtt B, Sengupta D, Sessa L, Vanni S, Zeppelin T, Zoni V, Bondar AN, Domene C.

J Membr Biol. 2018 Dec;251(5-6):609-631. doi: 10.1007/s00232-018-0050-y. Epub 2018 Oct 22. Review.

9.

Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor.

Xu ER, von Bülow S, Chen PC, Lenting PJ, Kolšek K, Aponte-Santamaría C, Simon B, Foot J, Obser T, Schneppenheim R, Gräter F, Denis CV, Wilmanns M, Hennig J.

Blood. 2019 Jan 24;133(4):366-376. doi: 10.1182/blood-2018-04-843615. Epub 2018 Oct 10.

10.

Mechano-redox control of integrin de-adhesion.

Passam F, Chiu J, Ju L, Pijning A, Jahan Z, Mor-Cohen R, Yeheskel A, Kolšek K, Thärichen L, Aponte-Santamaría C, Gräter F, Hogg PJ.

Elife. 2018 Jun 22;7. pii: e34843. doi: 10.7554/eLife.34843.

11.

Stability of Biological Membranes upon Mechanical Indentation.

Franz F, Aponte-Santamaría C, Daday C, Miletić V, Gräter F.

J Phys Chem B. 2018 Jul 19;122(28):7073-7079. doi: 10.1021/acs.jpcb.8b01861. Epub 2018 Jul 5.

PMID:
29897246
12.

On the mechanism of spontaneous thiol-disulfide exchange in proteins.

Putzu M, Gräter F, Elstner M, Kubař T.

Phys Chem Chem Phys. 2018 Jun 13;20(23):16222-16230. doi: 10.1039/c8cp01325j.

PMID:
29863196
13.

Two Differential Binding Mechanisms of FG-Nucleoporins and Nuclear Transport Receptors.

Tan PS, Aramburu IV, Mercadante D, Tyagi S, Chowdhury A, Spitz D, Shammas SL, Gräter F, Lemke EA.

Cell Rep. 2018 Mar 27;22(13):3660-3671. doi: 10.1016/j.celrep.2018.03.022.

14.

CONAN: A Tool to Decode Dynamical Information from Molecular Interaction Maps.

Mercadante D, Gräter F, Daday C.

Biophys J. 2018 Mar 27;114(6):1267-1273. doi: 10.1016/j.bpj.2018.01.033.

15.

Autoregulation of von Willebrand factor function by a disulfide bond switch.

Butera D, Passam F, Ju L, Cook KM, Woon H, Aponte-Santamaría C, Gardiner E, Davis AK, Murphy DA, Bronowska A, Luken BM, Baldauf C, Jackson S, Andrews R, Gräter F, Hogg PJ.

Sci Adv. 2018 Feb 28;4(2):eaaq1477. doi: 10.1126/sciadv.aaq1477. eCollection 2018 Feb.

16.

Probing molecular forces in multi-component physiological membranes.

Ray A, Gräter F, Thukral L.

Phys Chem Chem Phys. 2018 Jan 24;20(4):2155-2161. doi: 10.1039/c7cp05981g.

PMID:
29177331
17.

Stress-induced long-range ordering in spider silk.

Wagner JA, Patil SP, Greving I, Lämmel M, Gkagkas K, Seydel T, Müller M, Markert B, Gräter F.

Sci Rep. 2017 Nov 10;7(1):15273. doi: 10.1038/s41598-017-15384-8.

18.

The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations.

Daday C, Kolšek K, Gräter F.

Sci Rep. 2017 Sep 15;7(1):11669. doi: 10.1038/s41598-017-11017-2.

19.

Stress Propagation through Biological Lipid Bilayers in Silico.

Aponte-Santamaría C, Brunken J, Gräter F.

J Am Chem Soc. 2017 Oct 4;139(39):13588-13591. doi: 10.1021/jacs.7b04724. Epub 2017 Sep 25.

PMID:
28853287
20.

Accessibility explains preferred thiol-disulfide isomerization in a protein domain.

Kolšek K, Aponte-Santamaría C, Gräter F.

Sci Rep. 2017 Aug 29;7(1):9858. doi: 10.1038/s41598-017-07501-4.

21.

Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins.

Mercadante D, Wagner JA, Aramburu IV, Lemke EA, Gräter F.

J Chem Theory Comput. 2017 Sep 12;13(9):3964-3974. doi: 10.1021/acs.jctc.7b00143. Epub 2017 Aug 28.

PMID:
28805390
22.

Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements.

Fuertes G, Banterle N, Ruff KM, Chowdhury A, Mercadante D, Koehler C, Kachala M, Estrada Girona G, Milles S, Mishra A, Onck PR, Gräter F, Esteban-Martín S, Pappu RV, Svergun DI, Lemke EA.

Proc Natl Acad Sci U S A. 2017 Aug 1;114(31):E6342-E6351. doi: 10.1073/pnas.1704692114. Epub 2017 Jul 17.

23.

One-Way Allosteric Communication between the Two Disulfide Bonds in Tissue Factor.

Zhou B, Hogg PJ, Gräter F.

Biophys J. 2017 Jan 10;112(1):78-86. doi: 10.1016/j.bpj.2016.12.003.

24.

Mutation G1629E Increases von Willebrand Factor Cleavage via a Cooperative Destabilization Mechanism.

Aponte-Santamaría C, Lippok S, Mittag JJ, Obser T, Schneppenheim R, Baldauf C, Gräter F, Budde U, Rädler JO.

Biophys J. 2017 Jan 10;112(1):57-65. doi: 10.1016/j.bpj.2016.11.3202.

25.

Protein S-Bacillithiolation Functions in Thiol Protection and Redox Regulation of the Glyceraldehyde-3-Phosphate Dehydrogenase Gap in Staphylococcus aureus Under Hypochlorite Stress.

Imber M, Huyen NTT, Pietrzyk-Brzezinska AJ, Loi VV, Hillion M, Bernhardt J, Thärichen L, Kolšek K, Saleh M, Hamilton CJ, Adrian L, Gräter F, Wahl MC, Antelmann H.

Antioxid Redox Signal. 2018 Feb 20;28(6):410-430. doi: 10.1089/ars.2016.6897. Epub 2017 Jan 18.

26.

Dynamic disorder can explain non-exponential kinetics of fast protein mechanical unfolding.

Costescu BI, Sturm S, Gräter F.

J Struct Biol. 2017 Jan;197(1):43-49. doi: 10.1016/j.jsb.2016.10.003. Epub 2016 Oct 19.

PMID:
27771331
27.

Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor.

Posch S, Aponte-Santamaría C, Schwarzl R, Karner A, Radtke M, Gräter F, Obser T, König G, Brehm MA, Gruber HJ, Netz RR, Baldauf C, Schneppenheim R, Tampé R, Hinterdorfer P.

Data Brief. 2016 Jul 21;8:1080-7. doi: 10.1016/j.dib.2016.07.031. eCollection 2016 Sep.

28.

Minicollagen cysteine-rich domains encode distinct modes of polymerization to form stable nematocyst capsules.

Tursch A, Mercadante D, Tennigkeit J, Gräter F, Özbek S.

Sci Rep. 2016 May 11;6:25709. doi: 10.1038/srep25709.

29.

Mutual A domain interactions in the force sensing protein von Willebrand factor.

Posch S, Aponte-Santamaría C, Schwarzl R, Karner A, Radtke M, Gräter F, Obser T, König G, Brehm MA, Gruber HJ, Netz RR, Baldauf C, Schneppenheim R, Tampé R, Hinterdorfer P.

J Struct Biol. 2017 Jan;197(1):57-64. doi: 10.1016/j.jsb.2016.04.012. Epub 2016 Apr 23.

30.

von Willebrand factor is dimerized by protein disulfide isomerase.

Lippok S, Kolšek K, Löf A, Eggert D, Vanderlinden W, Müller JP, König G, Obser T, Röhrs K, Schneppenheim S, Budde U, Baldauf C, Aponte-Santamaría C, Gräter F, Schneppenheim R, Rädler JO, Brehm MA.

Blood. 2016 Mar 3;127(9):1183-91. doi: 10.1182/blood-2015-04-641902. Epub 2015 Dec 15.

31.

Macromolecular Entropy Can Be Accurately Computed from Force.

Hensen U, Gräter F, Henchman RH.

J Chem Theory Comput. 2014 Nov 11;10(11):4777-81. doi: 10.1021/ct500684w.

PMID:
26584364
32.

Mechanism of Focal Adhesion Kinase Mechanosensing.

Zhou J, Aponte-Santamaría C, Sturm S, Bullerjahn JT, Bronowska A, Gräter F.

PLoS Comput Biol. 2015 Nov 6;11(11):e1004593. doi: 10.1371/journal.pcbi.1004593. eCollection 2015 Nov.

33.

Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors.

Milles S, Mercadante D, Aramburu IV, Jensen MR, Banterle N, Koehler C, Tyagi S, Clarke J, Shammas SL, Blackledge M, Gräter F, Lemke EA.

Cell. 2015 Oct 22;163(3):734-45. doi: 10.1016/j.cell.2015.09.047. Epub 2015 Oct 8.

34.

Dynamic Allostery of the Catabolite Activator Protein Revealed by Interatomic Forces.

Louet M, Seifert C, Hensen U, Gräter F.

PLoS Comput Biol. 2015 Aug 5;11(8):e1004358. doi: 10.1371/journal.pcbi.1004358. eCollection 2015 Aug.

35.

Origin of Orthogonality of Strain-Promoted Click Reactions.

Wagner JA, Mercadante D, Nikić I, Lemke EA, Gräter F.

Chemistry. 2015 Aug 24;21(35):12431-5. doi: 10.1002/chem.201501727. Epub 2015 Jul 14.

36.

Kirkwood-Buff Approach Rescues Overcollapse of a Disordered Protein in Canonical Protein Force Fields.

Mercadante D, Milles S, Fuertes G, Svergun DI, Lemke EA, Gräter F.

J Phys Chem B. 2015 Jun 25;119(25):7975-84. doi: 10.1021/acs.jpcb.5b03440. Epub 2015 Jun 15.

PMID:
26030189
37.

Force-sensitive autoinhibition of the von Willebrand factor is mediated by interdomain interactions.

Aponte-Santamaría C, Huck V, Posch S, Bronowska AK, Grässle S, Brehm MA, Obser T, Schneppenheim R, Hinterdorfer P, Schneider SW, Baldauf C, Gräter F.

Biophys J. 2015 May 5;108(9):2312-21. doi: 10.1016/j.bpj.2015.03.041.

38.

Redox potentials of protein disulfide bonds from free-energy calculations.

Li W, Baldus IB, Gräter F.

J Phys Chem B. 2015 Apr 30;119(17):5386-91. doi: 10.1021/acs.jpcb.5b01051. Epub 2015 Apr 21.

PMID:
25856548
39.

Allosteric regulation of focal adhesion kinase by PIP₂ and ATP.

Zhou J, Bronowska A, Le Coq J, Lietha D, Gräter F.

Biophys J. 2015 Feb 3;108(3):698-705. doi: 10.1016/j.bpj.2014.11.3454.

40.

A fast recoiling silk-like elastomer facilitates nanosecond nematocyst discharge.

Beckmann A, Xiao S, Müller JP, Mercadante D, Nüchter T, Kröger N, Langhojer F, Petrich W, Holstein TW, Benoit M, Gräter F, Özbek S.

BMC Biol. 2015 Jan 16;13:3. doi: 10.1186/s12915-014-0113-1.

41.

A proton relay enhances H2O2 sensitivity of GAPDH to facilitate metabolic adaptation.

Peralta D, Bronowska AK, Morgan B, Dóka É, Van Laer K, Nagy P, Gräter F, Dick TP.

Nat Chem Biol. 2015 Feb;11(2):156-63. doi: 10.1038/nchembio.1720. Epub 2015 Jan 12.

PMID:
25580853
42.

Transition path sampling with quantum/classical mechanics for reaction rates.

Gräter F, Li W.

Methods Mol Biol. 2015;1215:27-45. doi: 10.1007/978-1-4939-1465-4_2.

PMID:
25330957
43.

Molecular basis of the mechanical hierarchy in myomesin dimers for sarcomere integrity.

Xiao S, Gräter F.

Biophys J. 2014 Aug 19;107(4):965-73. doi: 10.1016/j.bpj.2014.06.043.

44.

Viscous friction between crystalline and amorphous phase of dragline silk.

Patil SP, Xiao S, Gkagkas K, Markert B, Gräter F.

PLoS One. 2014 Aug 13;9(8):e104832. doi: 10.1371/journal.pone.0104832. eCollection 2014.

45.

Identification of allosteric disulfides from prestress analysis.

Zhou B, Baldus IB, Li W, Edwards SA, Gräter F.

Biophys J. 2014 Aug 5;107(3):672-681. doi: 10.1016/j.bpj.2014.06.025.

46.

Phosphatidylinositol 4,5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes.

Goñi GM, Epifano C, Boskovic J, Camacho-Artacho M, Zhou J, Bronowska A, Martín MT, Eck MJ, Kremer L, Gräter F, Gervasio FL, Perez-Moreno M, Lietha D.

Proc Natl Acad Sci U S A. 2014 Aug 5;111(31):E3177-86. doi: 10.1073/pnas.1317022111. Epub 2014 Jul 21.

47.

Rate-dependent behavior of the amorphous phase of spider dragline silk.

Patil SP, Markert B, Gräter F.

Biophys J. 2014 Jun 3;106(11):2511-8. doi: 10.1016/j.bpj.2014.04.033.

48.

Graphene mechanics: II. Atomic stress distribution during indentation until rupture.

Costescu BI, Gräter F.

Phys Chem Chem Phys. 2014 Jun 28;16(24):12582-90. doi: 10.1039/c3cp55341h.

PMID:
24834440
49.

Graphene mechanics: I. Efficient first principles based Morse potential.

Costescu BI, Baldus IB, Gräter F.

Phys Chem Chem Phys. 2014 Jun 28;16(24):12591-8. doi: 10.1039/c3cp55340j.

PMID:
24834439
50.

von Willebrand factor directly interacts with DNA from neutrophil extracellular traps.

Grässle S, Huck V, Pappelbaum KI, Gorzelanny C, Aponte-Santamaría C, Baldauf C, Gräter F, Schneppenheim R, Obser T, Schneider SW.

Arterioscler Thromb Vasc Biol. 2014 Jul;34(7):1382-9. doi: 10.1161/ATVBAHA.113.303016. Epub 2014 May 1.

PMID:
24790143

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