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Items: 29

1.

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
2.

GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics Simulations.

Briones R, Blau C, Kutzner C, de Groot BL, Aponte-Santamaría C.

Biophys J. 2019 Jan 8;116(1):4-11. doi: 10.1016/j.bpj.2018.11.3126. Epub 2018 Dec 1.

PMID:
30558883
3.

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.

4.

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.

5.

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.

6.

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.

7.

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
8.

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.

9.

Author Correction: Temperature dependence of protein-water interactions in a gated yeast aquaporin.

Aponte-Santamaría C, Fischer G, Båth P, Neutze R, de Groot BL.

Sci Rep. 2017 Dec 5;7(1):17201. doi: 10.1038/s41598-017-17040-7.

10.

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
11.

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.

12.

Temperature dependence of protein-water interactions in a gated yeast aquaporin.

Aponte-Santamaría C, Fischer G, Båth P, Neutze R, de Groot BL.

Sci Rep. 2017 Jun 21;7(1):4016. doi: 10.1038/s41598-017-04180-z. Erratum in: Sci Rep. 2017 Dec 5;7(1):17201.

13.

Localization and Ordering of Lipids Around Aquaporin-0: Protein and Lipid Mobility Effects.

Briones R, Aponte-Santamaría C, de Groot BL.

Front Physiol. 2017 Mar 2;8:124. doi: 10.3389/fphys.2017.00124. eCollection 2017.

14.

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.

15.

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.

16.

Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.

Wolf MG, Hoefling M, Aponte-Santamaría C, Grubmüller H, Groenhof G.

J Comput Chem. 2016 Aug 5;37(21):2038. doi: 10.1002/jcc.24386. No abstract available.

PMID:
27350658
17.

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.

18.

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.

19.

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.

20.

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.

21.

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
22.

von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor.

Brehm MA, Huck V, Aponte-Santamaría C, Obser T, Grässle S, Oyen F, Budde U, Schneppenheim S, Baldauf C, Gräter F, Schneider SW, Schneppenheim R.

Thromb Haemost. 2014 Jul 3;112(1):96-108. doi: 10.1160/TH13-11-0902. Epub 2014 Mar 6.

PMID:
24598842
23.

The identification of novel, high affinity AQP9 inhibitors in an intracellular binding site.

Wacker SJ, Aponte-Santamaría C, Kjellbom P, Nielsen S, de Groot BL, Rützler M.

Mol Membr Biol. 2013 May;30(3):246-60. doi: 10.3109/09687688.2013.773095. Epub 2013 Mar 1.

PMID:
23448163
24.

Molecular driving forces defining lipid positions around aquaporin-0.

Aponte-Santamaría C, Briones R, Schenk AD, Walz T, de Groot BL.

Proc Natl Acad Sci U S A. 2012 Jun 19;109(25):9887-92. doi: 10.1073/pnas.1121054109. Epub 2012 Jun 7.

25.

Aquaporin-9 protein is the primary route of hepatocyte glycerol uptake for glycerol gluconeogenesis in mice.

Jelen S, Wacker S, Aponte-Santamaría C, Skott M, Rojek A, Johanson U, Kjellbom P, Nielsen S, de Groot BL, Rützler M.

J Biol Chem. 2011 Dec 30;286(52):44319-25. doi: 10.1074/jbc.M111.297002. Epub 2011 Nov 11.

26.

Voltage-regulated water flux through aquaporin channels in silico.

Hub JS, Aponte-Santamaría C, Grubmüller H, de Groot BL.

Biophys J. 2010 Dec 15;99(12):L97-9. doi: 10.1016/j.bpj.2010.11.003.

27.

Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporin.

Aponte-Santamaría C, Hub JS, de Groot BL.

Phys Chem Chem Phys. 2010 Sep 21;12(35):10246-54. doi: 10.1039/c004384m. Epub 2010 Jul 7.

PMID:
20607193
28.

g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.

Wolf MG, Hoefling M, Aponte-Santamaría C, Grubmüller H, Groenhof G.

J Comput Chem. 2010 Aug;31(11):2169-74. doi: 10.1002/jcc.21507. Erratum in: J Comput Chem. 2016 Aug 5;37(21):2038.

PMID:
20336801
29.

Crystal structure of a yeast aquaporin at 1.15 angstrom reveals a novel gating mechanism.

Fischer G, Kosinska-Eriksson U, Aponte-Santamaría C, Palmgren M, Geijer C, Hedfalk K, Hohmann S, de Groot BL, Neutze R, Lindkvist-Petersson K.

PLoS Biol. 2009 Jun;7(6):e1000130. doi: 10.1371/journal.pbio.1000130. Epub 2009 Jun 16.

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