Dr. Javier Garcia Marin obtained his BSc in Pharmacy (with honors) from the University Complutense of Madrid in 2014 and then, a Master in Drug Discovery by the same University the next year. Following this, as a graduate fellow funded by the Spanish Ministry of Education, I started a PhD in Medicinal Chemistry at the University of Alcalá where I defended my thesis (with honors) in September 2020. My research was focused on the discovery of new drugs and therapeutic peptides via rational design, synthesis and in vitro evaluation. During this period, I visited Prof. Adrian Mulholland laboratory in Bristol (UK) for three months to learn molecular dynamic techniques applied to study enzyme inhibition phenomena. In 2020, during COVID outbreak, I started a first postdoc position at the Center for Biological Research Margarita Salas where I applied molecular modeling techniques for the study of SARS-CoV-2 Spike protein and performed drug repurposing campaigns. Later, in 2022 as ¨Margarita Salas¨ postdoctoral fellow, I joined to the Department of Chemistry at the University of Bath (UK) to study enzymes and ion channels with computational multiscale approaches. After finishing this second postdoctoral stay, I started as assistant professor at the Department of Organic and Inorganic Chemistry of the University of Alcalá where I work in the design, synthesis and study of new chemical probes and drugs for high prevalence diseases. My research focuses on the interface of chemistry and biology, with a special emphasis in the use of computational approaches to the design and preparation of novel bioactive compounds, as well as the understanding of the their mechanism of action at atomic level.