Sökning: "V-nitrogenase"

Hittade 2 avhandlingar innehållade ordet V-nitrogenase.

1. 1. Computational Studies of Nitrogenase

   Författare :Lili Cao; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; nitrogenase; QM MM; quantum refinement; FeMo cluster; E4 state; N2 binding; V-nitrogenase; P-cluster; S2B dissociation; broken-symmetry state; homocitrate; DFT; protonation state; disorder; ComQumX-2QM;

   Sammanfattning : AbstractNitrogenase is the only enzyme that can convert the inert nitrogen molecule to ammonia, so that it can be used for biomass production and in biosynthetic pathways. It contains a complicated acitve site, composed of eight metal ions, nine sulfur ions and one carbide ion (the FeMo cluster). LÄS MER

3. 2. Computational protein crystallography : How to get the most out of your data

   Författare :Justin Bergmann; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Hirshfeld atom refinement HAR ; ; quantum refinement; protein crystallography; X-ray crystallography; neutron crystallography; nitrogenase; acetylcholin esterase; triose isomerase;

   Sammanfattning : It is important to obtain accurate three dimensional structures of molecules and proteins to understand and predict their function and behaviour. X-ray crystallography is the major technique to determine three dimensional structures of proteins. LÄS MER