| 2003 |
|---|
| 3 | EE | Ramkumar Rajamani,
Kevin J. Naidoo,
Jiali Gao:
Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution.
Journal of Computational Chemistry 24(14): 1775-1781 (2003) |
| 2002 |
|---|
| 2 | EE | Michelle Kuttel,
J. W. Brady,
Kevin J. Naidoo:
Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations.
Journal of Computational Chemistry 23(13): 1236-1243 (2002) |
| 2001 |
|---|
| 1 | EE | Kevin J. Naidoo,
Michelle Kuttel:
Water structure about the dimer and hexamer repeat units of amylose from molecular dynamics computer simulations.
Journal of Computational Chemistry 22(4): 445-456 (2001) |
