Název projektu:
Computational modeling of (bio)chemical properties and interactions (Ref: 11 EE 21B9 3KV4 )
Popis:
An 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.
Description:
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.
Innovations and advantages of the offer
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.
List of Keywords
Technology
Statistical Analysis
Molecular design
Toxicology
Market
Pharmaceuticals/fine chemicals
Industrial chemicals
Current Stage of Development
Already on the market
Exploitation of RTD Results
Private Research
Description:
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.
Innovations and advantages of the offer
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.
List of Keywords
Technology
Statistical Analysis
Molecular design
Toxicology
Market
Pharmaceuticals/fine chemicals
Industrial chemicals
Current Stage of Development
Already on the market
Exploitation of RTD Results
Private Research
Požadavky na partnera:
Collaboration Type
Joint further development
Testing of new applications
Adaptation to specific needs
Comments
- 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
Joint further development
Testing of new applications
Adaptation to specific needs
Comments
- 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
Obchodní firma/fyzická osoba:
Technologické inovační centrum s.r.o.
Kontaktní osoba:
Lenka Kostelníková
Email:
Telefon:
+420 739 570 792
