| 2008 |
|---|
| 6 | EE | Toshiaki Matsubara,
Michel Dupuis,
Misako Aida:
An insight into the environmental effects of the pocket of the active site of the enzyme. Ab initio ONIOM-molecular dynamics (MD) study on cytosine deaminase.
Journal of Computational Chemistry 29(3): 458-465 (2008) |
| 2006 |
|---|
| 5 | | Latifa Douali,
Matt Ernst,
John Miller,
Michel Dupuis:
Melting Free Energies of DNA Duplexes with oxidized Base Residues and Abasic sites: A Molecular Dynamics Characterization.
BIOCOMP 2006: 329-337 |
| 2003 |
|---|
| 4 | EE | Theresa L. Windus,
Eric J. Bylaska,
Michel Dupuis,
So Hirata,
Lisa Pollack,
Dayle M. Smith,
Tjerk P. Straatsma,
Edoardo Aprà:
NWChem: New Functionality.
International Conference on Computational Science 2003: 168-180 |
| 1999 |
|---|
| 3 | | Misako Aida,
H. Yamataka,
Michel Dupuis:
Modeling of Reactivities of Organic Molecules by Means of Ab Initio MD Method.
LSSC 1999: 319-327 |
| 1997 |
|---|
| 2 | EE | Antonio M. Márquez,
Jaime Oviedo,
Javier Fernández Sanz,
Michel Dupuis:
Parallel computation of second derivatives of RHF energy on distributed memory computers.
Journal of Computational Chemistry 18(2): 159-168 (1997) |
| 1995 |
|---|
| 1 | | Antonio M. Márquez,
Michel Dupuis:
Parallel Computation of the MP2 Energy on Distributed Memory Computers.
Journal of Computational Chemistry 16(4): 395-404 (1995) |
