| |
| 1996 | ||
|---|---|---|
| 3 | EE | Christophe Chipot, Peter A. Kollman, David A. Pearlman: Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions. Journal of Computational Chemistry 17(9): 1112-1131 (1996) |
| 1994 | ||
| 2 | David A. Pearlman: Free Energy Derivatives: A New Method for Probing the Convergence Problem in Free Energy Calculations. Journal of Computational Chemistry 15(1): 105-123 (1994) | |
| 1 | Stephen E. DeBolt, David A. Pearlman, Peter A. Kollman: Free Energy Peturbation Calculations on Parallel Computers: Demonstrations of Scalable Linear Speedup. Journal of Computational Chemistry 15(3): 351-374 (1994) | |
| 1 | Christophe Chipot | [3] |
| 2 | Stephen E. DeBolt | [1] |
| 3 | Peter A. Kollman | [1] [3] |