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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

Concepts for improved availability and computational power in automated driving; Konzepte für höhere Verfügbarkeit und Rechenleistung im Bereich autonomes Fahren;

Grubmüller, Stephanie, Stettinger, Georg, Nešić, Dragan, Watzenig, Daniel

Journal:

e & i Elektrotechnik und Informationstechnik

Year:

2018

Language:

english

File:

PDF, 855 KB

english, 2018

4

`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

5

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

6

Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution

Lange, O. F., Lakomek, N.-A., Fares, C., Schroder, G. F., Walter, K. F. A., Becker, S., Meiler, J., Grubmuller, H., Griesinger, C., de Groot, B. L.

Journal:

Year:

2008

Language:

english

File:

PDF, 1.20 MB

english, 2008

7

Social media analytics for future oriented policy making

Grubmüller, Verena, Götsch, Katharina, Krieger, Bernhard

Journal:

European Journal of Futures Research

Year:

2013

Language:

english

File:

PDF, 238 KB

english, 2013

8

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

9

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

10

Single-molecule FRET measures bends and kinks in DNA

Wozniak, A. K., Schroder, G. F., Grubmuller, H., Seidel, C. A. M., Oesterhelt, F.

Journal:

Proceedings of the National Academy of Sciences

Year:

2008

Language:

english

File:

PDF, 1.67 MB

english, 2008

11

Ludger Honnefelder, Woher kommen wir? Ursprünge der Moderne im Denken des Mittelalters. 2008

Grubmüller, Klaus

Journal:

Year:

2011

Language:

german

File:

PDF, 95 KB

german, 2011

12

Die Ordnung, der Witz und das Chaos (Eine Geschichte der europäischen Novellistik im Mittelalter: Fabliau - Märe - Novelle) || 11 Boccaccio und das neue Erzählen in der europäischen Literatur

Grubmüller, Klaus

Year:

2006

Language:

german

File:

PDF, 5.11 MB

german, 2006

13

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

14

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

15

[IEEE 2018 IEEE 27th International Symposium on Industrial Electronics (ISIE) - Cairns, Australia (2018.6.13-2018.6.15)] 2018 IEEE 27th International Symposium on Industrial Electronics (ISIE) - A Digital Isolated High Voltage Probe for Measurements in Power Electronics

Grubmuller, Michael, Schweighofer, Bernhard, Wegleiter, Hannes

Year:

2018

Language:

english

File:

PDF, 167 KB

english, 2018

16

Prospective evaluation of the performance of [68Ga]Ga-PSMA-11 PET/CT(MRI) for lymph node staging in patients undergoing superextended salvage lymph node dissection after radical prostatectomy

Abufaraj, Mohammad, Grubmüller, Bernhard, Zeitlinger, Markus, Kramer, Gero, Seitz, Christian, Haitel, Andrea, Baltzer, Pascal, Hacker, Marcus, Wadsak, Wolfgang, Pfaff, Sarah, Wiatr, Tomasz, Mitterhaus

Journal:

European Journal of Nuclear Medicine and Molecular Imaging

Year:

2019

Language:

english

File:

PDF, 719 KB

english, 2019

17

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

18

Cover Picture: ChemPhysChem 3/2002

Matthias Rief, Helmut Grubmüller

Journal:

Year:

2002

File:

PDF, 19 KB

2002

19

Force Spectroscopy of Single Biomolecules

Matthias Rief, Helmut Grubmüller

Journal:

Year:

2002

Language:

english

File:

PDF, 235 KB

english, 2002

20

[4 + 3]-Cycloadditionen von Allenylkationen

Dr. Herbert Mayr, Bärbel Grubmüller

Journal:

Angewandte Chemie

Year:

1978

Language:

german

File:

PDF, 234 KB

german, 1978

21

Direkte Abspaltung funktioneller Gruppen durch katalytische Hydrogenolyse

Dr. Wilhelm F. Maier, Dr. Peter Grubmüller, Irina Thies, cand. chem. Peter M. Stein, Dr. M. Anthony McKervey, Prof. Dr. Paul von Ragué Schleyer

Journal:

Angewandte Chemie

Year:

1979

Language:

german

File:

PDF, 241 KB

german, 1979

22

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

23

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

24

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

25

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

26

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

27

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

28

[4 + 3]-Cycloadditions of Allenyl Cations

Dr. Herbert Mayr, Bärbel Grubmüller

Journal:

Angewandte Chemie International Edition

Year:

1978

Language:

english

File:

PDF, 215 KB

english, 1978

29

Direct Removal of Functional Groups by Catalytic Hydrogenolysis

Dr. Wilhelm F. Maier, Dr. Peter Grubmüller, Dipl.-Ing. Irina Thies, Peter M. Stein, Prof. Dr. M. Anthony McKervey, Prof. Dr. Paul von Ragué Schleyer

Journal:

Angewandte Chemie International Edition

Year:

1979

Language:

english

File:

PDF, 241 KB

english, 1979

30

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

31

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

32

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

33

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

34

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

35

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

36

The Crystal and Molecular Structure of an Octacycloheneicosane Inert Towards Lewis Acid Isomerization

Peter Engel, Werner Nowacki, Joel Slutsky, Peter Grubmüller, Paul v. R. Schleyer

Journal:

European Journal of Inorganic Chemistry

Year:

1979

Language:

english

File:

PDF, 551 KB

english, 1979

37

Hydrogenolysis of alkyl-substituted adamantanes, diamantanes, and triamantanes in the gas phase on a nickel-alumina catalyst

Peter Grubmüller, Wilhelm F. Maier, Paul von Ragué Schleyer, M. Anthony McKervey, John J. Rooney

Journal:

European Journal of Inorganic Chemistry

Year:

1980

Language:

english

File:

PDF, 826 KB

english, 1980

38

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

39

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

40

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

41

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

42

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

43

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

44

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

45

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

46

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

47

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

48

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

49

BR at work: a computeranimation for the 13-14-cis-model of the photochemical cycle of bacter10rhodopsin

H. Grubmüller, K. Döhring, P. Tavan, M. Nonella, D. Oesterhelt

Journal:

Journal of Molecular Graphics

Year:

1993

Language:

english

File:

PDF, 140 KB

english, 1993

50

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

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