Exhibitors 2022



Computer simulations and artificial intelligence to boost the drug discovery process

Computer simulations and artificial intelligence to boost the drug discovery process

Computer simulations and artificial intelligence (AI) are becoming an integral part of the process of drug discovery with a significant reduction of time and costs. The increasing of the available computational capacity has allowed the implementation of new methodologies in silico for the identification of therapeutic targets and for the screening of extensive drug libraries. With these tools we identified small molecules useful for the treatment of rheumatoid arthritis, novel agents against ovarian cancer, new compounds with senolytic activity, new potential treatments of the SARS-CoV-2 infection.

Computer simulations and artificial intelligence to boost the drug discovery process

Maria Cristina De Rosa, Davide Pirolli, Benedetta Righino, Chiara Camponeschi

Il laboratorio di Molecular Modelling & Virtual Screening di SCITEC-Roma stato fondato nel 1997 da Maria Cristina De Rosa (Primo Ricercatore CNR) che successivamente stata affiancata da Davide Pirolli (Ricercatore CNR), da Benedetta Righino (Ricercatore CNR) e da Chiara Camponeschi (studente del programma di Dottorato Nazionale in Intelligenza Artificiale). La loro expertise include il protein modeling, le simulazioni di dinamica molecolare, il docking molecolare, il virtual screning, lADMET in silico. La loro attivit di ricerca focalizzata sullapplicazione della chimica computazionale alla biologia strutturale e al drug discovery.


 Research
  E.14 (pav. E)
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Data updated on 2024-05-23 - 1.42.36 pm