BioMacromolecules modeling server

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 Hotspot similarity using TWN-RENCOD compared with other traditional methods

BioMacromolecules Hotspot similarity calculation methods

Residue-based <- Click for residue-based Hotspot similarity calculation

Surface-based <- Click for surface-based Hotspot similarity calculation

Interaction-based <- Click for interaction-based Hotspot similarity calculation

Topological Water Network (TWN)

Biomacromolecules Hotspot similarity 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

Q & A (error, suggestions, etc.)

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