Speaker: Dr. Maria Cristina De Rosa
SCITEC Rome – CNR c/o Catholic University
Title: From Targets to Drug Candidates: Computational Strategies for Drug Discovery
Host researcher: Anna Moles
Abstract
Computational approaches have become key components of modern drug discovery, supporting the identification and optimization of drug candidates while reducing time and experimental costs. In this talk, I will present how complementary computational strategies, ranging from molecular modelling and virtual screening to AI/ML-based approaches, can be integrated to explore therapeutic targets and chemical space. Selected applications in immune-mediated disorders, cancer, senescence-related diseases will illustrate their contribution to the discovery of novel bioactive compounds and potential drug candidates.
