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Services

 

Nanochemistry:

- Functionalization of nanotubes
- Organiic synthesis
- Polyelectrolytes
- TEM imaging

Environmental chemistry:

- Analysis of pollutants
- Purification methods
- Soil and water samples

 

Research Areas

- Toxicology
- Energy Sciences
- Pollution dynamics
- Water pollution circulation
- Life cycle of pollutants
- Heavy Metals
- Molecular interactions
- Environmental remediation
- Waste management
- Exotic Materials

 

 

Fjordforsk A.S. Midtun, 6894 Vangsnes, Norway.
Org.nr: 911659654 | www.fjordforsk.no

Force fields, quantum mechanics and biochemical challenges

 

Collaborating institute:

Prof. David van der Spoel. University of Uppsala, Biomedical Institute, Uppsala, Sweden.

Project duration: 2010 -

Project description:
Implementation of atomic properties for a topology-generating script for the recognition of chemical structures using the GAFF and OPLS/AA force field. Part of the GROMACS molecular simulations package. The project  aims to facilitate the inclusion of organic and inorganic chemical structures as solvents, molecular topologies and ligands in the GROMACS simulation package. The implementation of such molecules facilitates research in organic chemistry, inorganic chemistry and nano- and meso sciences.

Project class: Computational chemistry, predictive methods, molecular simulations, molecular architecture.

Project participants. Manzetti S., van Der Spoel D.

Parallel page: Protein folding at the Computational Systems and Biology.

See relevant publications.

 

 

 

 

 

 

Fjordforsk is a member of the American Chemical Society. Please visit the society following the logo below.

 

News

 

22 Jun.: Publication of a survey of rogue wave phenomena in fiberoptics and oceanic systems. Read more.

24. Feb. : New study on the current and emerging approaches in applied quantum physics in computation and new technologies. Read more.

1 Dec.: Study of the DNA-binding affinity of parabens, phthalates and perfluorinated compounds publshed at the American Chemical Society. Read more

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