Helmut Grubmuller: search on Z-Library

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1

Accurate Three States Model for Amino Acids with Two Chemically Coupled Titrating Sites in Explicit Solvent Atomistic Constant pH Simulations and p K a Calculations

Dobrev, Plamen, Donnini, Serena, Groenhof, Gerrit, Grubmüller, Helmut

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 4.14 MB

english, 2017

2

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

Huang, Jing, Rauscher, Sarah, Nawrocki, Grzegorz, Ran, Ting, Feig, Michael, de Groot, Bert L, Grubmüller, Helmut, MacKerell, Alexander D

Journal:

Year:

2016

Language:

english

File:

PDF, 450 KB

english, 2016

3

`Chair–boat' transitions and side groups affect the stiffness of polysaccharides

Berthold Heymann, Helmut Grubmüller

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 269 KB

english, 1999

4

Effect of Sodium Chloride on a Lipid Bilayer

Böckmann, Rainer A., Hac, Agnieszka, Heimburg, Thomas, Grubmüller, Helmut

Journal:

Biophysical Journal

Year:

2003

Language:

english

File:

PDF, 602 KB

english, 2003

5

Aqueous Urea Solutions: Structure, Energetics, and Urea Aggregation

Stumpe, Martin C., Grubmüller, Helmut

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 635 KB

english, 2007

6

AMBER-DYES: Characterization of Charge Fluctuations and Force Field Parameterization of Fluorescent Dyes for Molecular Dynamics Simulations

Graen, Timo, Hoefling, Martin, Grubmüller, Helmut

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.69 MB

english, 2014

7

Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

Kutzner, Carsten, Páll, Szilárd, Fechner, Martin, Esztermann, Ansgar, de Groot, Bert L., Grubmüller, Helmut

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 1.35 MB

english, 2015

8

The 2018 biomembrane curvature and remodeling roadmap

Bassereau, Patricia, Jin, Rui, Baumgart, Tobias, Deserno, Markus, Dimova, Rumiana, Frolov, Vadim A, Bashkirov, Pavel V, Grubmüller, Helmut, Jahn, Reinhard, Risselada, H Jelger, Johannes, Ludger, Kozlo

Journal:

Journal of Physics D Applied Physics

Year:

2018

Language:

english

File:

PDF, 7.76 MB

english, 2018

9

More bang for your buck: Improved use of GPU nodes for GROMACS 2018

Kutzner, Carsten, Páll, Szilárd, Fechner, Martin, Esztermann, Ansgar, de Groot, Bert L., Grubmüller, Helmut

Journal:

Journal of Computational Chemistry

Year:

2019

Language:

english

File:

PDF, 2.34 MB

english, 2019

10

Cover Picture: ChemPhysChem 3/2002

Matthias Rief, Helmut Grubmüller

Journal:

Year:

2002

File:

PDF, 19 KB

2002

11

Force Spectroscopy of Single Biomolecules

Matthias Rief, Helmut Grubmüller

Journal:

Year:

2002

Language:

english

File:

PDF, 235 KB

english, 2002

12

Schrittweise Bindung zweiwertiger Kationen an Phospholipid-Membranen: eine Moleküldynamikstudie

Rainer A. Böckmann, Helmut Grubmüller

Journal:

Angewandte Chemie

Year:

2004

Language:

german

File:

PDF, 181 KB

german, 2004

13

Molecular Dynamics Simulations of Protein G Challenge NMR-Derived Correlated Backbone Motions

Oliver F. Lange, Helmut Grubmüller, Bert L. de Groot

Journal:

Angewandte Chemie

Year:

2005

Language:

english

File:

PDF, 867 KB

english, 2005

14

Titelbild: Schrittweise Bindung zweiwertiger Kationen an Phospholipid-Membranen: eine Moleküldynamikstudie (Angew. Chem. 8/2004)

Rainer A. Böckmann, Helmut Grubmüller

Journal:

Angewandte Chemie

Year:

2004

File:

PDF, 21 KB

2004

15

Photoswitching of the Fluorescent Protein asFP595: Mechanism, Proton Pathways, and Absorption Spectra

Lars V. Schäfer, Gerrit Groenhof, Astrid R. Klingen, G. Matthias Ullmann, Martial Boggio-Pasqua, Michael A. Robb, Helmut Grubmüller

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 655 KB

english, 2007

16

Elastic Properties of Photoswitchable Azobenzene Polymers from Molecular Dynamics Simulations

Lars V. Schäfer, E. Matthias Müller, Hermann E. Gaub, Helmut Grubmüller

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 451 KB

english, 2007

17

Ein “Kraftpuffer” schützt Titinimmunglobulin

João M. Nunes, Ulf Hensen, Lin Ge, Manuela Lipinsky, Jonne Helenius, Helmut Grubmüller, Daniel J. Muller

Journal:

Angewandte Chemie

Year:

2010

Language:

german

File:

PDF, 635 KB

german, 2010

18

Multistep Binding of Divalent Cations to Phospholipid Bilayers: A Molecular Dynamics Study

Rainer A. Böckmann, Helmut Grubmüller

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 181 KB

english, 2004

19

Molecular Dynamics Simulations of Protein G Challenge NMR-Derived Correlated Backbone Motions

Oliver F. Lange, Helmut Grubmüller, Bert L. de Groot

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 868 KB

english, 2005

20

Cover Picture: Multistep Binding of Divalent Cations to Phospholipid Bilayers: A Molecular Dynamics Study (Angew. Chem. Int. Ed. 8/2004)

Rainer A. Böckmann, Helmut Grubmüller

Journal:

Angewandte Chemie International Edition

Year:

2004

File:

PDF, 20 KB

2004

21

Photoswitching of the Fluorescent Protein asFP595: Mechanism, Proton Pathways, and Absorption Spectra

Lars V. Schäfer, Gerrit Groenhof, Astrid R. Klingen, G. Matthias Ullmann, Martial Boggio-Pasqua, Michael A. Robb, Helmut Grubmüller

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 655 KB

english, 2007

22

Elastic Properties of Photoswitchable Azobenzene Polymers from Molecular Dynamics Simulations

Lars V. Schäfer, E. Matthias Müller, Hermann E. Gaub, Helmut Grubmüller

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 451 KB

english, 2007

23

A “Force Buffer” Protecting Immunoglobulin Titin

João M. Nunes, Ulf Hensen, Lin Ge, Manuela Lipinsky, Jonne Helenius, Helmut Grubmüller, Daniel J. Muller

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 652 KB

english, 2010

24

Primary Steps of pH-Dependent Insulin Aggregation Kinetics are Governed by Conformational Flexibility

Jürgen Haas, Esteban Vöhringer-Martinez, Andreas Bögehold, Dirk Matthes, Ulf Hensen, Avishay Pelah, Bernd Abel, Helmut Grubmüller

Journal:

Year:

2009

Language:

english

File:

PDF, 677 KB

english, 2009

25

Inside Cover: Primary Steps of pH-Dependent Insulin Aggregation Kinetics are Governed by Conformational Flexibility (ChemBioChem 11/2009)

Jürgen Haas, Esteban Vöhringer-Martinez, Andreas Bögehold, Dirk Matthes, Ulf Hensen, Avishay Pelah, Bernd Abel, Helmut Grubmüller

Journal:

Year:

2009

Language:

english

File:

PDF, 455 KB

english, 2009

26

Caught in the Act: Visualization of SNARE-Mediated Fusion Events in Molecular Detail

Herre Jelger Risselada, Carsten Kutzner, Prof. Helmut Grubmüller

Journal:

Year:

2011

Language:

english

File:

PDF, 1.39 MB

english, 2011

27

Corrigendum: Caught in the Act: Visualization of SNARE-Mediated Fusion Events in Molecular Detail

Herre Jelger Risselada, Carsten Kutzner, Prof. Helmut Grubmüller

Journal:

Year:

2011

Language:

english

File:

PDF, 190 KB

english, 2011

28

Mechanical Properties of Single Motor Molecules Studied by Three-Dimensional Thermal Force Probing in Optical Tweezers

Sylvia Jeney, Ernst H. K. Stelzer, Helmut Grubmüller, Ernst-Ludwig Florin

Journal:

Year:

2004

Language:

english

File:

PDF, 238 KB

english, 2004

29

Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics

Oliver F. Lange, Lars V. Schäfer, Helmut Grubmüller

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 353 KB

english, 2006

30

Speeding up parallel GROMACS on high-latency networks

Carsten Kutzner, David Van Der Spoel, Martin Fechner, Erik Lindahl, Udo W. Schmitt, Bert L. De Groot, Helmut Grubmüller

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 728 KB

english, 2007

31

Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes

Maik Goette, Helmut Grubmüller

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 262 KB

english, 2009

32

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

Maarten G. Wolf, Martin Hoefling, Camilo Aponte-Santamaría, Helmut Grubmüller, Gerrit Groenhof

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 546 KB

english, 2010

33

Determining equilibrium constants for dimerization reactions from molecular dynamics simulations

Djurre H. De Jong, Lars V. Schäfer, Alex H. De Vries, Siewert J. Marrink, Herman J. C. Berendsen, Helmut Grubmüller

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 258 KB

english, 2011

34

Linear-scaling soft-core scheme for alchemical free energy calculations

Floris P. Buelens, Helmut Grubmüller

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 201 KB

english, 2012

35

Molecular dynamics simulation of lipids and lipid embossed proteins

Rainer Bockmann, Christian Kappel, Helmut Grubmuller

Journal:

Chemistry and Physics of Lipids

Year:

2007

Language:

english

File:

PDF, 44 KB

english, 2007

36

Elastic properties of poly(ethylene-glycol) studied by molecular dynamics stretching simulations

Berthold Heymann, Helmut Grubmüller

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 336 KB

english, 1999

37

Molekulare Nanomaschinen unter der Lupe: Proteindynamik-Simulationen

Bert L. de Groot, Rainer A. Böckmann, Helmut Grubmüller

Journal:

Physik in unserer Zeit

Year:

2006

Language:

german

File:

PDF, 1.37 MB

german, 2006

38

Wunderwerke der Evolution

Helmut Grubmüller

Journal:

Physik in unserer Zeit

Year:

2008

Language:

german

File:

PDF, 73 KB

german, 2008

39

Generalized correlation for biomolecular dynamics

Oliver F. Lange, Helmut Grubmüller

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2006

Language:

english

File:

PDF, 395 KB

english, 2006

40

Full correlation analysis of conformational protein dynamics

Oliver F. Lange, Helmut Grubmüller

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2008

Language:

english

File:

PDF, 954 KB

english, 2008

41

Is TEA an inhibitor for human Aquaporin-1?

E. Matthias Müller, Jochen S. Hub, Helmut Grubmüller, Bert L. de Groot

Journal:

Pflügers Archiv European Journal of Physiology

Year:

2008

Language:

english

File:

PDF, 280 KB

english, 2008

42

Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics

Nils-Alexander Lakomek, Korvin F. A. Walter, Christophe Farès, Oliver F. Lange, Bert L. de Groot, Helmut Grubmüller, Rafael Brüschweiler, Axel Munk, Stefan Becker, Jens Meiler, Christian Griesinger

Journal:

Journal of Biomolecular NMR

Year:

2008

Language:

english

File:

PDF, 650 KB

english, 2008

43

AN02/DNP-hapten unbinding forces studied by molecular dynamics atomic force microscopy simulations

Berthold Heymann, Helmut Grubmüller

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 333 KB

english, 1999

44

Nanoseconds molecular dynamics simulation of primary mechanical energy transfer steps in F1-ATP synthase

Böckmann, Rainer A., Grubmüller, Helmut

Journal:

Natural Structural Biology

Year:

2002

Language:

english

File:

PDF, 1.13 MB

english, 2002

45

Sequential N- to C-terminal SNARE complex assembly drives priming and fusion of secretory vesicles

Sørensen, Jakob B, Wiederhold, Katrin, Müller, Emil M, Milosevic, Ira, Nagy, Gábor, de Groot, Bert L, Grubmüller, Helmut, Fasshauer, Dirk

Journal:

The EMBO Journal

Year:

2006

Language:

english

File:

PDF, 683 KB

english, 2006

46

Membrane protein sequestering by ionic protein–lipid interactions

van den Bogaart, Geert, Meyenberg, Karsten, Risselada, H. Jelger, Amin, Hayder, Willig, Katrin I., Hubrich, Barbara E., Dier, Markus, Hell, Stefan W., Grubmüller, Helmut, Diederichsen, Ulf

Journal:

Year:

2011

Language:

english

File:

PDF, 1.69 MB

english, 2011

47

The dynamics and energetics of water permeation and proton exclusion in aquaporins

Bert L de Groot, Helmut Grubmüller

Journal:

Current Opinion in Structural Biology

Year:

2005

Language:

english

File:

PDF, 893 KB

english, 2005

48

How SNARE molecules mediate membrane fusion: Recent insights from molecular simulations

Herre Jelger Risselada, Helmut Grubmüller

Journal:

Current Opinion in Structural Biology

Year:

2012

Language:

english

File:

PDF, 3.91 MB

english, 2012

49

A Highly Strained Nuclear Conformation of the Exportin Cse1p Revealed by Molecular Dynamics Simulations

Ulrich Zachariae, Helmut Grubmüller

Journal:

Year:

2006

Language:

english

File:

PDF, 804 KB

english, 2006

50

Pheromone Discrimination by the Pheromone-Binding Protein of Bombyx mori

Frauke Gräter, Wei Xu, Walter Leal, Helmut Grubmüller

Journal:

Year:

2006

Language:

english

File:

PDF, 466 KB

english, 2006