This website uses cookies to give you the best, most relevant experience. Using the website means you are Ok with this.


FRAGNET

Fragnet


AndreaScarpinoAndrea Scarpino - obtained his MSc in Pharmaceutical Chemistry and Technologies at the Department of Pharmacy, University of Pisa, Italy. His master’s thesis focused on the identification of new LDH-5 inhibitors through a multidisciplinary approach, by combining computational chemistry and synthetic organic chemistry. He mostly applied computer-aided drug design (CADD) approaches to generate a pharmacophore model, to perform virtual screening of compound libraries spanning a wide chemical diversity, and to make reliable predictions by means of consensus docking and molecular dynamics studies. Andrea is mainly interested in developing his computational background in drug discovery, and as ESR8 in FragNet he will apply CADD methods to identify fragment-sized covalent binders to be further extended into lead-like compounds. The ultimate goal of his project is to design and validate a computational protocol that integrates experimental data and covers many aspects of the in silico Fragment-Based Lead Discovery (FBLD) process, for the identification of new covalent inhibitors of FragNet targets.

 

Project: ESR8: Virtual Screening of Fragment Libraries of Covalent Binders
Academic supervisor: Prof. dr. György M. Keserű (RCNS)

 

 

 

 

Contact details

Please contact us at:
info@fragnet.eu

FRAGNET Coordinator
VU University Amsterdam
The Netherlands



Funded by

marie curie actions   Marie Curie Actions

 

 

unnamed   
EU Horizon 2020

 

 

european union logo   European Union