| 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) |
