HINT
HINT calculates 3D hydropathy fields and 3D hydropathic interaction maps that are useful as tools for 3D QSAR and biomacromolecular structure, as well as:
- Estimates LogP for modeled molecules in InsightII or Sybyl.
- Provides SMILES-based tools for molecule building using the Daylight Toolkit and the Biosym Sketcher module (available in Hint 2.1I).
- Numerically and graphically evaluates binding of drugs or inhibitors into protein structures and scores DOCK (UCSF) orientations.
- Constructs hydropathic (LOCK and KEY) complementarity maps that can be used to predict an ideal substrate from a known receptor or protein structure or to propose the hydropathic structure from known agonists or antagonists.
- Evaluates/predicts effects of site-directed mutagenesis on protein structure and stability.
The HINT home page can be viewed at URL: http://www.eslc.vabiotech.com/hint
Other WWW on-line info is available at:
manuals:
http://www.phc.vcu.edu/hint/hintmans.html
presentations:
http://www.phc.vcu.edu/hint/hinttalk.html
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