검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis Agarwal PK, Billeter SR, Hammes-Schiffer S Journal of Physical Chemistry B, 106(12), 3283, 2002 |
| 2 |
Partial multidimensional grid generation method for efficient calculation of nuclear wavefunctions Iordanov T, Billeter SR, Webb SP, Hammes-Schiffer S Chemical Physics Letters, 338(4-6), 389, 2001 |
| 3 |
Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes Billeter SR, Webb SP, Iordanov T, Agarwal PK, Hammes-Schiffer S Journal of Chemical Physics, 114(15), 6925, 2001 |
| 4 |
Hydride transfer in liver alcohol dehydrogenase: Quantum dynamics, kinetic isotope effects, and role of enzyme motion Billeter SR, Webb SP, Agarwal PK, Iordanov T, Hammes-Schiffer S Journal of the American Chemical Society, 123(45), 11262, 2001 |
| 5 |
Computer simulation of proton transfers of small acids in water Billeter SR, van Gunsteren WF Journal of Physical Chemistry A, 104(15), 3276, 2000 |
| 6 |
The GROMOS biomolecular simulation program package Scott WRP, Hunenberger PH, Tironi IG, Mark AE, Billeter SR, Fennen J, Torda AE, Huber T, Kruger P, van Gunsteren WF Journal of Physical Chemistry A, 103(19), 3596, 1999 |
| 7 |
Protonizable water model for quantum dynamical simulations Billeter SR, van Gunsteren WF Journal of Physical Chemistry A, 102(24), 4669, 1998 |
| 8 |
Can the Density Maximum of Water Be Found by Computer-Simulation Billeter SR, King PM, Vangunsteren WF Journal of Chemical Physics, 100(9), 6692, 1994 |