Dft calculations of magnetic resonance parameters of copper-containing enzymes

Project Information

MATTHIAS STEIN

Grant agreement ID: HPMF-CT-2002-02170

Project closed

Start date 1 January 2003

End date 31 December 2004

Funded under

• Programme for research, technological development and demonstration on "Improving the human research potential and the socio-economic knowledge base" (1998-2002)

Total cost € 150 054,00

EU contribution € 150 054,00

Coordinated by

ROYAL INSTITUTE OF TECHNOLOGY
Sweden

Objective

Modern relativistic electronic structure calculations will be used in order to calculate EPR parameters (g- and A-tensors) from DFT wave functions for the metalloenzyme copper- nitrite reductases.

Fields of science

• natural sciences › biological sciences › biochemistry › biomolecules › proteins › enzymes

Programme(s)

• FP5-HUMAN POTENTIAL - Programme for research, technological development and demonstration on "Improving the human research potential and the socio-economic knowledge base" (1998-2002)

Topic(s)

Data not available

Call for proposal

Data not available

Funding Scheme

RGI - Research grants (individual fellowships)

Coordinator

ROYAL INSTITUTE OF TECHNOLOGY

• EU contribution: No data
• Address: Teknikringen, 30 ; 100 44 STOCKHOLM ; Sweden
• Total cost: No data