research line
Systems and structural biology
At ITB, the Systems and Structural Biology research line applies molecular modeling and computational approaches to study the structure, interactions, and functional mechanisms of biologically and pharmacologically relevant macromolecules.
In this research line, systems biology integrates multi-omics data to characterize disease-related pathways and molecular networks, whereas structural biology leverages molecular modeling and AI-based approaches to support drug discovery and molecular design.
Research Activities
The use of molecular modeling for detailed studies of the recognition and binding processes of macromolecules of biological and pharmacological interest.
Multiomic integration to identify regulatory pathways, gene modules, protein networks, and composite signals associated with pathological phenotypes.
Investigation, High Throughput Virtual Screening (HTVS), rational and de novo design, drug repurposing, and iterative optimization of pharmacologically active molecules and other therapeutic entities (like small molecules and RNAs) aimed at treating or preventing pathological conditions in living organisms.
The study of protein variants, mutations, and post-translational modifications using molecular modelling methods.
Employment of deep learning methods for protein design and engineering
