|Title of Profil||Computational modeling of (bio)chemical properties and interactions
11 EE 21B9 3KV4
|Country of origin||Estonia|
|Entry/Update||2011-04-18 / 2011-04-18|
|Status||This profile is expired! For further details, please contact your local EEN office. (2012-03-28) |
AbstractAn Estonian SME developed various methods of in silico modeling of (bio)chemical properties and interactions. Modeling can be used in research of new chemicals in industrial or pharmaceutical fields. The SME is looking for partners in related industries for applying the methods in the development of new compounds.
The SME has expertise in MD (Molecular Dynamics), QSAR (Quantitative Structure Activity Relationships) and Chemometric analysis including statistical methods such as PCA (Principal Component Analysis), Regression, Cluster Analysis, etc.
With computational MD calculations interactions of (bio)chemicals with media, proteins, membranes or among themselves can be evaluated. With QSAR analysis important chemical characteristics related to process can be revealed. Based on this knowledge new chemicals can be designed and computationally tested. With supportive chemometric analyses processes and related data in multivariate nature can be evaluated.
A major advantage of the computational methods is their low cost since virtual modeling does not require expensive laboratory equipment and chemicals. Additionally, (bio)chemicals which have not been synthesized can be analyzed. New potential compounds for industrial processes or ligands in drug design, etc can be evaluated.
- Statistical Analysis
- Molecular design
- Pharmaceuticals/fine chemicals
- Industrial chemicals
Stage of development
Already on the market
Patent Rights (IPR)
- Joint further development
- Testing of new applications
- Adaptation to specific needs
Type of partner sought: Industry, Universitry
Specific area of activity of the partner: Pharmaceuticals or chemical industries and research institutions
Task to be performed by the partner sought: Jointly applying the modeling methods in the development of new compounds
Technical Centre/Technology transfer Centre Org. Size: 11-50
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