Software products provided for the scientific community
DrugScore, DrugScoreRNA, DrugScorePPI
- Rigidity theory-based analysis of structural stability and flexibility of proteins and RNA
- Software available under an academic license, please contact Prof. Holger Gohlke
- A web server is available for CNA
- Free energy workflow tool for binding free energy calculations with TI, MM-PBSA, and LIE for several ligands binding to the same receptor
- Case study on ligands binding to FXa according to the study published in J. Comput. Chem. 2013.
- A tutorial demonstrating the functionality of FEW is available at http://ambermd.org/tutorials
- References: J. Comput. Chem. 2013.