 | 2010 |
| 8 |  | Daniel Seeliger,
Bert L. de Groot:
Ligand docking and binding site analysis with PyMOL and Autodock/Vina.
Journal of Computer-Aided Molecular Design 24(5): 417-422 (2010) |
| 7 |  | Daniel Seeliger,
Bert L. de Groot:
Conformational Transitions upon Ligand Binding: Holo-Structure Prediction from Apo Conformations.
PLoS Computational Biology 6(1): (2010) |
| 6 |  | Jochen S. Hub,
Marcus B. Kubitzki,
Bert L. de Groot:
Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation.
PLoS Computational Biology 6(5): (2010) |
| 2009 |
| 5 |  | Daniel Seeliger,
Bert L. de Groot:
tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules.
Journal of Computational Chemistry 30(7): 1160-1166 (2009) |
| 4 |  | Jochen S. Hub,
Bert L. de Groot:
Detection of Functional Modes in Protein Dynamics.
PLoS Computational Biology 5(8): (2009) |
| 2007 |
| 3 |  | 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 |
| 2 |  | 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 |
| 1997 |
| 1 |  | Daan M. F. van Aalten,
Bert L. de Groot,
John B. C. Findlay,
Herman J. C. Berendsen,
Andrea Amadei:
A comparison of techniques for calculating protein essential dynamics.
Journal of Computational Chemistry 18(2): 169-181 (1997) |