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Software products provided for the scientific community


DrugScore, DrugScoreRNA, DrugScorePPI
AFMOC
RCNMA / NMSim
CNAnalysis
VisualCNA
        • A GUI for interactive Constraint Network Analysis and protein engineering for improving thermostability
        • Software available under GPL from here.
        • Video tutorials are available on Youtube.
PocketAnalyzerPCA
MM-PBSA within the Amber suite of biomolecular simulation codes
FEW within the Amber suite of biomolecular simulation codes
        • 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.
FEWmem
        • Implicit solvent / implicit membrane free energy calculations
        • Extension of the free energy workflow FEW towards implicit solvent / implicit membrane MM-PBSA calculations
BEERT
        • Efficient approximation of ligand rotational and translational entropy changes upon binding for use in MM-PBSA calculations
CNA-Svib

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