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2010 – 2019
- 2019
[j6]Florent Réal
, Valérie Vallet, Michel Masella:
Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment. J. Comput. Chem. 40(11): 1209-1218 (2019)- 2018
- [j5]William Jalby, David J. Kuck, Allen D. Malony, Michel Masella, Abdelhafid Mazouz, Mihail Popov:
The Long and Winding Road Toward Efficient High-Performance Computing. Proc. IEEE 106(11): 1985-2003 (2018) - 2013
- [j4]Florent Réal, Michael Trumm, Bernd Schimmelpfennig, Michel Masella, Valérie Vallet:
Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions. J. Comput. Chem. 34(9): 707-719 (2013) - [j3]Michel Masella, Daniel Borgis, Philippe Cuniasse:
A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics. J. Comput. Chem. 34(13): 1112-1124 (2013) - 2011
- [j2]Michel Masella, Daniel Borgis, Philippe Cuniasse:
Combining a polarizable force-field and a coarse-grained polarizable solvent model. II. Accounting for hydrophobic effects. J. Comput. Chem. 32(12): 2664-2678 (2011)
2000 – 2009
- 2008
- [j1]Michel Masella, Daniel Borgis, Philippe Cuniasse:
Combining a polarizable force-field and a coarse-grained polarizable solvent model: Application to long dynamics simulations of bovine pancreatic trypsin inhibitor. J. Comput. Chem. 29(11): 1707-1724 (2008)
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