[QSAR] BIOCUBE

[List for Members of QSAR and Modeling Society]

Hello everybody,
BIOCUBE (v.1.0.0) is a free independent computational tool developped by
our research group (www.casmedchem.unito.it) that extracts the most
relevant information from GRID output files (GRID, Version 22b, Molecular
Discovery Ltd). BIOCUBE filters and computes MIFs points with an energy
equal to or lower than a given threshold defined by the user, enables
their elementary clusterization and allows their visual inspection and
manipulation with a wide number of common molecular modelling packages.
The integrated use of GRID and BIOCUBE could be very useful in ADMET
prediction.

If you are interested in BIOCUBE, please have a look at

http://www.casmedchem.unito.it/pg011.html

Best regards

Giulia Caron




-- 
Giulia Caron PhD
Dip.to Scienza e Tecnologia del Farmaco
via Giuria 9
10125 Torino (I)
tel ++39 011 6707282
www.casmedchem.unito.it