This advanced workshop will cover the following sessions:

• Alchemical free energy perturbation; Paulo Costa & Andreia Fortuna, FCUL
• Enhanced sampling: Umbrella Sampling; Nuno Galamba & Gabriel Martins, FCUL
• Peptide Binder Design and Scoring using RFdiffusion and AutoDock GNINA; Francisco Fernandes, INESC-IST
• Enhanced sampling: RE; TBA

The workshop is free of charge but requires registration.

3D-BioInfo-PT is the community of Portuguese scientific researchers working in fields connected to Structural Bioinformatics. It is constituted as a sub-community of the Biodata.pt infrastructure.