Exploració per tema "In silico enzyme engineering"
Ara es mostren els items 1-2 de 2
-
Insights on Laccase Engineering from Molecular Simulations: Towards a Binding Focused Strategy
(ACS Publications, 2015-03-30)
Article
Accés obertUnderstanding the molecular determinants of enzyme performance is of primary importance for the rational design of ad hoc mutants. A novel approach, which combines efficient conformational sampling and quick reactivity ... -
Quantum chemistry and conformational sampling meet together : a powerful approach to study and design metalloprotein reactivity
(Universitat Politècnica de Catalunya, 2016-12-19)
Tesi
Accés obertMetalloprotein 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 ...