| |
| 2007 | ||
|---|---|---|
| 5 | EE | José D. Faraldo-Gómez, Benoît Roux: Characterization of conformational equilibria through Hamiltonian and temperature replica-exchange simulations: Assessing entropic and environmental effects. Journal of Computational Chemistry 28(10): 1634-1647 (2007) |
| 1999 | ||
| 4 | EE | Serge Crouzy, Jérôme Baudry, Jeremy C. Smith, Benoît Roux: Efficient calculation of two-dimensional adiabatic and free energy maps: Application to the isomerization of the C13C14 and C15N16 bonds in the retinal of bacteriorhodopsin. Journal of Computational Chemistry 20(15): 1644-1658 (1999) |
| 1997 | ||
| 3 | EE | Jérôme Baudry, Serge Crouzy, Benoît Roux, Jeremy C. Smith: Quantum Chemical and Free Energy Simulation Analysis of Retinal Conformational Energetics. Journal of Chemical Information and Computer Sciences 37(6): 1018-1024 (1997) |
| 2 | EE | Konrad Hinsen, Benoît Roux: A potential function for computer simulation studies of proton transfer in acetylacetone. Journal of Computational Chemistry 18(3): 368-380 (1997) |
| 1995 | ||
| 1 | Benoît Roux, Martin Karplus: Potential Energy Function for Cation-Peptide Interactions: An Ab Initio Study. Journal of Computational Chemistry 16(6): 690-704 (1995) | |
| 1 | Jérôme Baudry | [3] [4] |
| 2 | Serge Crouzy | [3] [4] |
| 3 | José D. Faraldo-Gómez | [5] |
| 4 | Konrad Hinsen | [2] |
| 5 | Martin Karplus | [1] |
| 6 | Jeremy C. Smith | [3] [4] |