BioMacromolecules modeling server

Welcome to Nam Sook Kang's TWN world.

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

This website provides visiting users to calculate Hotspot similarity using TWN-RENCOD compared with other traditional methods

BioMacromolecules Hotspot similarity calculation methods

Binding Site Similarity
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)

TWN Main
TWN Formula

Biomacromolecules Hotspot similarity method

TWN RENCOD
TWN RENCOD 2

Step by step

This method needs multiple steps:

1. MD simulation
2. TWN-extraction
3. TWN-centroid
4. TWN-reordering & similarity calculation

Q & A (error, suggestions, etc.)

Please write inquiry including your e-mail address