Chem‐Path‐Tracker An automated tool to analyze chemical motifs in molecular structures.

This article is protected by copyright. All rights reserved. Chem‐Bio‐Tracker allows the location of relevant chemical motifs in protein structures using a modified version of the Dijkstra's algorithm. The chemical motifs can be a small group of residues or structure protein fragments with highly conserved properties that have important biological functions. To simplify this sort of analysis we developed a GUI that was embedded in VMD. The Chem‐Path‐Tracker package is distributed as an independent platform, and can be found at http://www.fc.up.pt/PortoBioComp/database/doku.php?id=chem-path-tracker.
Source: Chemical Biology and Drug Design - Category: Biology Authors: Tags: Research Article Source Type: research