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 ...
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 ...