Martínez Cartró, Míriam (Date of defense: 2021-10-25)
Advances in structural and molecular biology have increased the knowledge of relevant and undrugged targets and have favoured the rational development of novel drugs through structure- based ...
Rachman, Moira (Date of defense: 2020-09-23)
Fragment-based drug design is an established strategy of finding new drugs. Instead of doing mass screening of chemical libraries containing compounds that are already lead-like, starting from a small ...
Ruiz Carmona, Sergio (Date of defense: 2017-01-20)
The main motivation of this thesis has been to validate, improve and develop new methods with respect to the ones available nowadays in the area of drug discovery, in order to be able to study more ...
Majewski, Maciej (Date of defense: 2020-07-17)
The relevance of structural stability in drug design has been shown by the use of DUck in virtual screening campaign, as reported previously. The method provides a fast and easy way to assess hydrogen ...
Piticchio, Serena (Date of defense: 2021-05-11)
Efficient discovery of bioactive molecules is an essential goal of Computer-Aided Drug Design (CADD). The molecules can be used as chemical probes, to validate novel targets, or as starting points for ...