- Computational Methods in Biophysics and Medicinal Chemistry: Applications and Challenges
- Di Martino, Giovanni Paolo <1985>
Subject
- CHIM/08 Chimica farmaceutica
Description
- In this thesis I described the theory and application of several computational methods in solving medicinal chemistry and biophysical tasks. I pointed out to the valuable information which could be achieved by means of computer simulations and to the possibility to predict the outcome of traditional experiments. Nowadays, computer represents an invaluable tool for chemists. In particular, the main topics of my research consisted in the development of an automated docking protocol for the voltage-gated hERG potassium channel blockers, and the investigation of the catalytic mechanism of the human peptidyl-prolyl cis-trans isomerase Pin1.
Date
- 2014-04-14
Type
- Doctoral Thesis
- PeerReviewed
Format
- application/pdf
Identifier
urn:nbn:it:unibo-13222
Di Martino, Giovanni Paolo (2014) Computational Methods in Biophysics and Medicinal Chemistry: Applications and Challenges , [Dissertation thesis], Alma Mater Studiorum Università di Bologna. Dottorato di ricerca in Chimica