Chemical basis of pharmacology of aging

Recommended Prerequisites

NA

Teaching Methods

Face-to-face research lectures.

Learning Outcomes

The course prepares students to apply computational approaches to study biological systems, with the final goal of rationally designing new molecules with potential interesting activities as chemical tools and new drugs.
In general, the course aims to develop the ability of scientists to address problems at the intersection of chemistry and biology that constitute the foundation for understanding complex biological processes at an atomic level. This knowledge is then exploited for the design of novel active molecules.
Attention will be given to new methods of machine learning and artificial intelligence in the context of drug discovery.

Work Placement(s)

No

Syllabus

The main subjects are:
- Introduction to computational studies of biochemical systems.
- Molecular Dynamics: studies of the correlations between structures, motions and activities on different scales.
- Ligand-protein interactions: methods to predict the interaction free energy.
- The design of biologically active small molecules: chemical tools and new drugs; the role of machine learning.

Assessment Methods

Assessment
Presentations: 100.0%

Bibliography

A ser disponibilizada no decorrer das aulas / To be delivered during the course