Original Research
Accepted on 16 Jan 2026
The Phosphorylated Tyrosine as a Gatekeeper for Topoisomerase Catalytic Activity: A Molecular Dynamics Simulation Study
in Modelling, Theory and Computational Catalysis
Frontiers in Catalysis
- 104 views
Type at least 3 characters
7 articles
articles
Original Research
Published on 05 Jul 2023
Theoretical investigation of catalytic n-butane isomerization over H-SSZ-13
in Modelling, Theory and Computational Catalysis
Frontiers in Catalysis
doi 10.3389/fctls.2023.1213803
- 5,597 views
- 1 citation
Original Research
Published on 16 Feb 2023
Non-reactive facet specific adsorption as a route to remediation of chlorinated organic contaminants
in Modelling, Theory and Computational Catalysis
Frontiers in Catalysis
doi 10.3389/fctls.2023.1116867
- 2,911 views
- 2 citations
Original Research
Published on 03 Feb 2023
The role of overlayered nitride electro-materials for N2 reduction to ammonia
in Modelling, Theory and Computational Catalysis
Frontiers in Catalysis
doi 10.3389/fctls.2022.1096824
- 3,091 views
- 23 citations
Review
Published on 19 Jul 2022
Modelling complex molecular interactions in catalytic materials for energy storage and conversion in nuclear magnetic resonance
in Modelling, Theory and Computational Catalysis
Frontiers in Catalysis
doi 10.3389/fctls.2022.935174
- 8,617 views
- 7 citations
Original Research
Published on 23 May 2022
Mechanisms and Trends of Guaiacol Hydrodeoxygenation on Transition Metal Catalysts
in Modelling, Theory and Computational Catalysis
Frontiers in Catalysis
doi 10.3389/fctls.2022.861364
- 6,998 views
- 15 citations
Specialty Grand Challenge
Published on 15 Apr 2021
Grand Challenges in Computational Catalysis
in Modelling, Theory and Computational Catalysis
Frontiers in Catalysis
doi 10.3389/fctls.2021.658965
- 9,365 views
- 37 citations