ArticleChemistry (Weinheim an der Bergstrasse, Germany)2022
Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- A Proposed Complete-Cycle Mechanism for Conversion of NChembiochem : a European journal of chemical biology · 2026Article
- Quantum Mechanical/Molecular Mechanical (QM/MM) Studies of Enzymes.Advances in experimental medicine and biology · 2026Review
- Structural evolution of nitrogenase states under alkaline turnover.Nature communications · 2024Article
- Understanding the Electronic Structure Basis for NInorganic chemistry · 2023Article
- The HD Reaction of Nitrogenase: a Detailed Mechanism.Chemistry (Weinheim an der Bergstrasse, Germany) · 2023Article
- Biological nitrogen fixation in theory, practice, and reality: a perspective on the molybdenum nitrogenase system.FEBS letters · 2023Review
- Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase.Molecules (Basel, Switzerland) · 2022Article
- Article
- Proton Transfer Pathways in Nitrogenase with and without Dissociated S2B.Angewandte Chemie (International ed. in English) · 2022Article
- Analysis of the Geometric and Electronic Structure of Spin-Coupled Iron-Sulfur Dimers with Broken-Symmetry DFT: Implications for FeMoco.Journal of chemical theory and computation · 2022Article
- Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
We have used combined quantum mechanical and molecular mechanical (QM/MM) calculations to study the reaction mechanism of nitrogenase, assuming that none of the sulfide ligands dissociates. To avoid the problem that there is no consensus regarding the structure and protonation of the E
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Registered trials
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