Tutorials

Tutorials for preparing the input files.

• Preliminary words
• Ligand Preparation from a PDB
• Protein Preparation (OLD-STYLE)
• Library Preparation

Preparing the receptor with CAMPARI (recommended).

• Protein preparation with CAMPARI

Preparing the input files and running SEED with Amber/GAFF.

• Gaff preparation (WORK IN PROGRESS)

Analysis of the outputs of a SEED run.

• Output analysis

Test cases on relevant examples from literature.

• Bromodomains
  • BRD4 Bromodomain