Isomerization of a Peptidic Fragment Studied Theoretically in Vacuum and in Explicit Water Solvent at Finite Temperature
- Yves A. Mantz
- Helene Gerard
- et al.
- 2004
- JACS
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Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathway
- Yves A. Mantz
- Helene Gerard
- et al.
- 2006
- Journal of Physical Chemistry B