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 ...
Miñarro Lleonar, Marina (Date of defense: 2023-02-24)
[eng] Advances in structural and molecular biology have favoured the rational development of novel drugs thru structure-based drug design (SBDD). Particularly, computational tools have proven to be rapid ...
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 ...