 | 2012 |
| 11 |  | Floris P. Buelens,
Helmut Grubmüller:
Linear-scaling soft-core scheme for alchemical free energy calculations.
Journal of Computational Chemistry 33(1): 25-33 (2012) |
| 2011 |
| 10 |  | Djurre H. De Jong,
Lars V. Schäfer,
Alex H. de Vries,
Siewert J. Marrink,
Herman J. C. Berendsen,
Helmut Grubmüller:
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.
Journal of Computational Chemistry 32(9): 1919-1928 (2011) |
| 2010 |
| 9 |  | Maarten G. Wolf,
Martin Hoefling,
Camilo Aponte-Santamaría,
Helmut Grubmüller,
Gerrit Groenhof:
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.
Journal of Computational Chemistry 31(11): 2169-2174 (2010) |
| 2009 |
| 8 |  | F. Reinhard,
Oliver F. Lange,
Jochen S. Hub,
Jürgen Haas,
Helmut Grubmüller:
g_permute: Permutation-reduced phase space density compaction.
Computer Physics Communications 180(3): 455-458 (2009) |
| 7 |  | Maik Goette,
Helmut Grubmüller:
Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes.
Journal of Computational Chemistry 30(3): 447-456 (2009) |
| 2008 |
| 6 |  | Martin C. Stumpe,
Helmut Grubmüller:
Polar or Apolar - The Role of Polarity for Urea-Induced Protein Denaturation.
PLoS Computational Biology 4(11): (2008) |
| 5 |  | Lars V. Schäfer,
Gerrit Groenhof,
Martial Boggio-Pasqua,
Michael A. Robb,
Helmut Grubmüller:
Chromophore Protonation State Controls Photoswitching of the Fluoroprotein asFP595.
PLoS Computational Biology 4(3): (2008) |
| 2007 |
| 4 |  | Carsten Kutzner,
David van der Spoel,
Martin Fechner,
Erik Lindahl,
Udo W. Schmitt,
Bert L. de Groot,
Helmut Grubmüller:
Speeding up parallel GROMACS on high-latency networks.
Journal of Computational Chemistry 28(12): 2075-2084 (2007) |
| 2006 |
| 3 |  | Carsten Kutzner,
David van der Spoel,
Martin Fechner,
Erik Lindahl,
Udo W. Schmitt,
Bert L. de Groot,
Helmut Grubmüller:
Improved GROMACS Scaling on Ethernet Switched Clusters.
PVM/MPI 2006: 404-405 |
| 2 |  | Oliver F. Lange,
Lars V. Schäfer,
Helmut Grubmüller:
Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics.
Journal of Computational Chemistry 27(14): 1693-1702 (2006) |
| 1998 |
| 1 |  | Helmut Grubmüller,
Paul Tavan:
Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?
Journal of Computational Chemistry 19(13): 1534-1552 (1998) |