The Virtual Laboratory Project

Enabling "Molecular Modelling for Drug Design" on the World Wide Grid


The Virtual Laboratory project is engaged in research, design, and development of Grid technologies that help in solving large-scale compute and data intensive science applications in the area of molecular biology. The virtual laboratory environment provides software tools and resource brokers that facilitate large-scale molecular studies on geographically distributed computational and data grid resources. This helps in examining/screening millions of chemical compounds (molecules) in the Chemical Data Bank (CDB) to identify those having potential use in drug design.


Computational Resources

Steps for Docking on the Grid

Team Members


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