Tesis

Mostrant 1 a 12 de 12 resultats

Data	Títol	Director(s)
2024	Computational modeling of inverting glycosyltransferase reaction mechanisms	Rovira, Carme
2024	Simulations of glycoside hydrolase and phosphorylase reaction mechanism: families GH20, GH29, GH129 and GH130	Rovira, Carme
2023	Computational insights into carbohydrate epimerase mechanisms	Rovira, Carme
2021	Mechanistic Insights into substrate-assisted catalysis in glycosidases by means of QM/MM molecular dynamics	Rovira, Carme
2020	Conformational Catalytic itineraries of five- and six-membered sugar rings in enzymatic and superacid media	Rovira, Carme
2018	Unveiling protein-substrate interactions and conformations that influence catalysis in carbohydrate-active enzymes	Rovira, Carme
2017	Conformational and mechanistic analyses of α- and β-glycosidase substrates by ab initio QM/MM methods	Rovira, Carme
2015	Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules	Rovira, Carme
2014	Elucidating catalytic mechanisms of glycoside hydrolases and transferases by means of ab initio molecular dynamics simulations	Rovira, Carme
2012	Study of molecular mechanisms in glycoside hydrolases and transferases by ab initio molecular dynamics	Rovira, Carme
2009	Ab initio molecular dynamics study of catalase reaction mechanisms	Rovira, Carme
2007	Substrate Preactivation mechanisms in 1,3-1,4-beta-glucanase. Modeling by means of first principles molecular dynamics	Rovira, Carme