Pub. Date : 2014 Dec 9
PMID : 26583221
1 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | For a >1000 atom model of the oxygenated myoglobin protein, the DDEC/c3 net charge of the adsorbed oxygen molecule is approximately -1e (in agreement with the Weiss model) using a dynamical mean field theory treatment of the iron atom, but much smaller in magnitude when using the generalized gradient approximation. | Iron | myoglobin | Homo sapiens |