Grid

Chemgrid


Molecular modelling is a growth area in chemistry due to the demands of chemists to be able to:

- visualise molecules

- study the structure of molecules

- study the properties of a molecule

- compare the structure and properties of molecules

- study interactions between molecules

- study reaction mechanisms

- predict the structure of molecules

- predict the properties of molecules

- predict reaction mechanisms

For example, molecular modeling can be applied to such areas of chemistry as quantum (3 - D orientation of connections in molecules), comparison of reaction ability of  cis - trans isomers, modeling of  catalytic and fermentative reactionary centers during polymerization,  modeling of fermentative reactionary centers of abnormal proton conductivity in membranes.

These computations are very data intensive. DataGrid provides the solution for storing and processing this data giving the scientist the opportunity to use computational and storage resources  distributed between several institutions.