Search

Filters

Use filters to refine the search results.

Now showing items 1-2 of 2

Quantum chemistry and conformational sampling meet together : a powerful approach to study and design metalloprotein reactivity

Monza, Emanuele (Date of defense: 19-12-2016)
Metalloprotein are proteins containing metal ion cofactors. Compared to chemical catalysts, metalloproteins have a well-defined configuration around the active site which ensures higher specificity, selectivity and reaction ...
Mapping biophysics through enhanced Monte Carlo techniques

Cabeza de Vaca López, Israel (Date of defense: 16-12-2015)
This thesis is focused on the study of molecular interactions at the atomistic detail and is divided into one introductory chapter and four chapters referencing different problems and methodological approaches. All of them ...