:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.
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implement binding-site similarity score for Fit3DS #52
if aligning ligand-binding sites of proteins it could be reasonable to implement a sophisticated score
suggestion:
Xie, Lei, Li Xie, and Philip E. Bourne. "A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery." Bioinformatics 25.12 (2009): i305-i312.
fkaiserbio
commented
7 years ago
Xie, Lei, Li Xie, and Philip E. Bourne. "A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery." Bioinformatics 25.12 (2009): i305-i312.