María Solano, Miguel Ángel (Date of defense: 2021-02-12)
Enzymes are sophisticated biomacromolecules whose function is linked to its three-dimensional structure and conformational dynamics. Therefore, the understanding of enzyme conformational dynamics can ...
Ramos Cordoba, Eloy (Date of defense: 2014-04-11)
This thesis focuses in the development and application of new tools for the analysis of the electron distribution in molecules, focusing on the concepts of local spins, and oxidation state. The thesis ...
El Hamdi Lahfid, Majid (Date of defense: 2013-10-15)
Structural isomers are molecules that have the same number and type of atoms but arranged in different manner. The isomerization energy is the energy difference between two isomers, i.e. the energy cost ...
Curado Carballada, Christian (Date of defense: 2023-03-13)
Enzymes have evolved through years until becoming great catalysts that present high selectivity, specificity, and activity. Initially, enzymes were understood as static (bio)molecular structures capable ...
Gimferrer Andrés, Martí (Date of defense: 2023-03-27)
In the last decades, electronic structure methods have been crucial for chemists to achieve deeper insight into chemistry itself and to make predictions before performing the actual experiments. The ...
Luque Urrutia, Jesús Antonio (Date of defense: 2021-03-26)
Given the existing problem of Climate Change, we must work towards more environmentally friendly chemical processes that would help us solve it. The thesis focuses on the study of different chemical ...
Serrano Hervás, Eila (Date of defense: 2022-07-20)
Chiral 1,2-amino alcohols are motifs widely present in different high valuable biologically active compounds. Many synthetic and enzymatic routes have been developed for producing optically active amino ...
Romero Rivera, Adrian (Date of defense: 2018-12-18)
Enzymes are the most efficient biocatalysts in Nature. However, biocatalysts in general are not capable of catalyzing reactions for industrial purposes. Hence, biocatalysts need to be engineered by ...
Calvó-Tusell, Carla (Date of defense: 2023-06-02)
Enzymes are molecules that play a crucial role in many biological and chemical processes. To understand how they work and how to design enzymes with specific functions, it is important to study their ...
Estévez-Gay, Miquel (Date of defense: 2023-07-07)
Enzymes are the best catalysts. They are the main catalysts in cells and have been exposed to millions of years of natural evolution by including random mutations in their sequence and posterior selection. ...