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.