This course organized by BioExcel CoE, in collaboration with: NCC Turkey, ENCCS

This course provides an in-depth exploration of bioinformatics and computational approaches to predict and model biomolecular interactions at the atomic level. Participants will gain hands-on experience using the widely used HADDOCK software to model biomolecular complexes, combining molecular simulations, machine learning, and experimental data such as cryo-EM and small-angle scattering.

The course covers key topics, including integrative modeling, molecular dynamics (MD) simulations, and the setup of simulations using GROMACS. Additionally, participants will learn to build FAIR biomolecular simulation workflows with the BioExcel Building Blocks (BioBB) library, understand free energy calculations, and explore their application in drug design through protein-ligand binding predictions.

By the end of the course, participants will have a comprehensive understanding of biomolecular simulations, with practical skills in using the latest tools and methodologies for cutting-edge research in drug discovery and protein interaction modeling.

Skill Level: Intermediate,

Language: English.

More information: https://indico.truba.gov.tr/event/177/