Projects funded by the NCN
Modeling of catalytic activity of biological nanostructures - nonheme iron dioxygenases
2011/01/N/ST4/02330
Keywords:
nonheme iron enzymes dioxygenases reaction mechanisms molecular dynamics quantum-chemical methods (DFT)
Descriptors:
- ST4_15: Colloid chemistry
- ST4_12: Photochemistry
- ST4_14: Catalysis
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN
woj. małopolskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: PRELUDIUM 1 - announced on 2011-03-15
Amount awarded: 86 300 PLN
Project start date (Y-m-d): 2011-12-06
Project end date (Y-m-d): 2013-12-05
Project duration:: 24 months (the same as in the proposal)
Project status: Project settled
Equipment purchased [PL]
- Serwer NTT (27 000 PLN)
- karta grafiki (4 000 PLN)
- zestaw komputera stacjonarnego (2 500 PLN)
Information in the final report
- Publication in academic press/journals (2)
- Mechanism of benzylic hydroxylation by 4-Hydroxymandelate synthase. A computational study.Authors:A. Wójcik, E. Broclawik, P.E.M. Siegbahn, T. BorowskiAcademic press:Biochemistry (rok: 2012, tom: 51, strony: 9570-9580), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/bi3010957 - link to the publication
- The alkenyl migration mechanism catalyzed by extradiol dioxygenases: a hybrid DFT studyAuthors:T. Borowski, A. Wójcik, A. Miłaczewska, V. Georgiev, M.R.A. Blomberg, P.E.M. SiegbahnAcademic press:Journal of Biological Inorganic Chemistry (rok: 2012, tom: 17, strony: 881-890), Wydawca: Springer-VerlagStatus:PublishedDOI:10.1007/s00775-012-0904-1 - link to the publication