| 2008 |
|---|
| 4 | EE | Luca Monticelli,
Eric J. Sorin,
D. Peter Tieleman,
Vijay S. Pande,
Giorgio Colombo:
Molecular simulation of multistate peptide dynamics: A comparison between microsecond timescale sampling and multiple shorter trajectories.
Journal of Computational Chemistry 29(11): 1740-1752 (2008) |
| 2007 |
|---|
| 3 | EE | Christian Kandt,
Eliud O. Oloo,
D. Peter Tieleman:
Domain coupling in the ABC transporter system BtuCD/BtuF: molecular dynamics simulation, normal mode analysis and protein-protein docking.
HPCS 2007: 17 |
| 2 | EE | Zhitao Xu,
Harry H. Luo,
D. Peter Tieleman:
Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues.
Journal of Computational Chemistry 28(3): 689-697 (2007) |
| 2003 |
|---|
| 1 | EE | Justin L. MacCallum,
D. Peter Tieleman:
Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field.
Journal of Computational Chemistry 24(15): 1930-1935 (2003) |
