Hot spot similarity calculation tool of biomolecule protein



Welcome to Nam Sook Kang's TWN world.

We research computer-aided drug design using topological water netwrok (TWN)

This website provides visiting users calulate hot spot similarity using TWN-RENCOD compared with other traditional methods


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Traditional hot spot similarity calculation methods





Residue-based <- Click for residue-based hot spot similarity calculation


Surface-based <- Click for surface-based hot spot similarity calculation


Interaction-based <- Click for interaction-based hot spot similarity calculation



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Topological Water Network (TWN)





Topological water network-based residue encoding

(TWN-RENCOD) method







Step by step.
This method needs multiple steps

1. MD simulation <- Click for MD simulation


2. TWN-extraction <- Click for TWN extraction


3. TWN-centroid <- Click for TWN centroid calculation


4. TWN-reordering & similarity calculation <- Click for TWN reordering and similarity calculation




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Q & A (error, suggestions, etc.)

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