| 2009 |
|---|
| 6 | EE | Chris Oostenbrink:
Efficient free energy calculations on small molecule host-guest systems - A combined linear interaction energy/one-step perturbation approach.
Journal of Computational Chemistry 30(2): 212-221 (2009) |
| 2006 |
|---|
| 5 | EE | Yu Zhou,
Chris Oostenbrink,
Aldo Jongejan,
Wilfred F. van Gunsteren,
Wilfred R. Hagen,
Simon W. De Leeuw,
Jaap A. Jongejan:
Computational study of ground-state chiral induction in small peptides: Comparison of the relative stability of selected amino acid dimers and oligomers in homochiral and heterochiral combinations.
Journal of Computational Chemistry 27(7): 857-867 (2006) |
| 2005 |
|---|
| 4 | EE | Markus Christen,
Philippe H. Hünenberger,
Dirk Bakowies,
Riccardo Baron,
Roland Bürgi,
Daan P. Geerke,
Tim N. Heinz,
Mika A. Kastenholz,
Vincent Kräutler,
Chris Oostenbrink,
Christine Peter,
Daniel Trzesniak,
Wilfred F. van Gunsteren:
The GROMOS software for biomolecular simulation: GROMOS05.
Journal of Computational Chemistry 26(16): 1719-1751 (2005) |
| 3 | EE | Thereza A. Soares,
Philippe H. Hünenberger,
Mika A. Kastenholz,
Vincent Kräutler,
Thomas Lenz,
Roberto D. Lins,
Chris Oostenbrink,
Wilfred F. van Gunsteren:
An improved nucleic acid parameter set for the GROMOS force field.
Journal of Computational Chemistry 26(7): 725-737 (2005) |
| 2004 |
|---|
| 2 | EE | Chris Oostenbrink,
Alessandra Villa,
Alan E. Mark,
Wilfred F. van Gunsteren:
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.
Journal of Computational Chemistry 25(13): 1656-1676 (2004) |
| 2003 |
|---|
| 1 | EE | Chris Oostenbrink,
Wilfred F. van Gunsteren:
Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character.
Journal of Computational Chemistry 24(14): 1730-1739 (2003) |
