125 related articles for article (PubMed ID: 29265384)
1. Is there computational support for an unprotonated carbon in the E
Siegbahn PEM
J Comput Chem; 2018 May; 39(12):743-747. PubMed ID: 29265384
[TBL] [Abstract][Full Text] [Related]
2. The active E4 structure of nitrogenase studied with different DFT functionals.
Wei WJ; Siegbahn PEM
J Comput Chem; 2021 Jan; 42(2):81-85. PubMed ID: 33051882
[TBL] [Abstract][Full Text] [Related]
3. Model Calculations Suggest that the Central Carbon in the FeMo-Cofactor of Nitrogenase Becomes Protonated in the Process of Nitrogen Fixation.
Siegbahn PE
J Am Chem Soc; 2016 Aug; 138(33):10485-95. PubMed ID: 27454704
[TBL] [Abstract][Full Text] [Related]
4. Extremely large differences in DFT energies for nitrogenase models.
Cao L; Ryde U
Phys Chem Chem Phys; 2019 Jan; 21(5):2480-2488. PubMed ID: 30652711
[TBL] [Abstract][Full Text] [Related]
5. The mechanism for nitrogenase including all steps.
Siegbahn PEM
Phys Chem Chem Phys; 2019 Jul; 21(28):15747-15759. PubMed ID: 31276128
[TBL] [Abstract][Full Text] [Related]
6. High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E
Hoeke V; Tociu L; Case DA; Seefeldt LC; Raugei S; Hoffman BM
J Am Chem Soc; 2019 Jul; 141(30):11984-11996. PubMed ID: 31310109
[TBL] [Abstract][Full Text] [Related]
7. Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N
Raugei S; Seefeldt LC; Hoffman BM
Proc Natl Acad Sci U S A; 2018 Nov; 115(45):E10521-E10530. PubMed ID: 30355772
[TBL] [Abstract][Full Text] [Related]
8. What Is the Structure of the E
Cao L; Ryde U
J Chem Theory Comput; 2020 Mar; 16(3):1936-1952. PubMed ID: 32003999
[TBL] [Abstract][Full Text] [Related]
9. N
Jiang H; Ryde U
Dalton Trans; 2023 Jul; 52(26):9104-9120. PubMed ID: 37338432
[TBL] [Abstract][Full Text] [Related]
10. The Critical E
Rohde M; Sippel D; Trncik C; Andrade SLA; Einsle O
Biochemistry; 2018 Sep; 57(38):5497-5504. PubMed ID: 29965738
[TBL] [Abstract][Full Text] [Related]
11. Computational Investigations of the Chemical Mechanism of the Enzyme Nitrogenase.
Dance I
Chembiochem; 2020 Jun; 21(12):1671-1709. PubMed ID: 31803989
[TBL] [Abstract][Full Text] [Related]
12. Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations.
Cao L; Caldararu O; Ryde U
J Chem Theory Comput; 2018 Dec; 14(12):6653-6678. PubMed ID: 30354152
[TBL] [Abstract][Full Text] [Related]
13. Reductive Elimination of H2 Activates Nitrogenase to Reduce the N≡N Triple Bond: Characterization of the E4(4H) Janus Intermediate in Wild-Type Enzyme.
Lukoyanov D; Khadka N; Yang ZY; Dean DR; Seefeldt LC; Hoffman BM
J Am Chem Soc; 2016 Aug; 138(33):10674-83. PubMed ID: 27529724
[TBL] [Abstract][Full Text] [Related]
14. Nitrogen binding to the FeMo-cofactor of nitrogenase.
Schimpl J; Petrilli HM; Blöchl PE
J Am Chem Soc; 2003 Dec; 125(51):15772-8. PubMed ID: 14677967
[TBL] [Abstract][Full Text] [Related]
15. Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand.
Jiang H; Ryde U
Chemistry; 2022 Mar; 28(14):e202103933. PubMed ID: 35006641
[TBL] [Abstract][Full Text] [Related]
16. A Mechanism for Nitrogenase Including Loss of a Sulfide.
Wei WJ; Siegbahn PEM
Chemistry; 2022 Feb; 28(12):e202103745. PubMed ID: 35098591
[TBL] [Abstract][Full Text] [Related]
17. Elucidating the coordination chemistry and mechanism of biological nitrogen fixation.
Dance I
Chem Asian J; 2007 Aug; 2(8):936-46. PubMed ID: 17614310
[TBL] [Abstract][Full Text] [Related]
18. Computational Model Study of the Experimentally Suggested Mechanism for Nitrogenase.
Siegbahn PEM
J Phys Chem B; 2024 Feb; 128(4):985-989. PubMed ID: 38237063
[TBL] [Abstract][Full Text] [Related]
19. Photoinduced Reductive Elimination of H
Lukoyanov D; Khadka N; Dean DR; Raugei S; Seefeldt LC; Hoffman BM
Inorg Chem; 2017 Feb; 56(4):2233-2240. PubMed ID: 28177622
[TBL] [Abstract][Full Text] [Related]
20. How feasible is the reversible S-dissociation mechanism for the activation of FeMo-co, the catalytic site of nitrogenase?
Dance I
Dalton Trans; 2019 Jan; 48(4):1251-1262. PubMed ID: 30607401
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]