Software (available for download)
- APoc: Is an efficient tool for large-scale structural comparison of protein pockets for interacting with small-molecule ligands.
- Cavitator: Is a program for detecting “pocket” or “cavity”, i.e., potential small-molecule binding sites, in a protein structure.
- EFICAz2.5: An accurate sequence based approach to enzyme function inference.
- Fr-TM-align: A program for protein structural alignment that uses the TM-score as the structural comparison metric. This is an improved version of Tm-align.
- GOAP: A generalized orientation-dependent, all-atom statistical potential for protein structure prediction.
- iAlign: Structural alignment algorithm for protein-protein interfaces that uses the TM-score as well as a side-chain contact overlap weighted TM-score as the interface comparison metric.
- IS-score: Is a tool for automatic assessing the quality of protein-protein docking models.
- LIGSIFT: A new computational method for the structural alignment of small molecules.
- PULCHRA: A program for all-atom reconstruction from the backbone C-alpha atoms.