Substituting density functional theory in reaction barrier calculations for 
hydrogen atom transfer in proteins

Riedmiller, Kai; Reiser, Patrick; Bobkova, Elizaveta; Maltsev, Kiril; Gryn'ova, Ganna; Friederich, Pascal; Gräter, Frauke

doi:10.1039/d3sc03922f

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Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins

Riedmiller, K., Reiser, P., Bobkova, E., Maltsev, K., Gryn'ova, G., Friederich, P., et al. (2024). Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins. Chemical Science, 15(7), 2518-2527. doi:10.1039/d3sc03922f.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000F-D912-8 Version Permalink: https://hdl.handle.net/21.11116/0000-0010-C727-2

Genre: Journal Article

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Creators:
Riedmiller, Kai, Author
Reiser, Patrick, Author
Bobkova, Elizaveta, Author
Maltsev, Kiril, Author
Gryn'ova, Ganna, Author
Friederich, Pascal, Author
Gräter, Frauke¹, Author

Affiliations:
1Dept. Gräter: External Affiliations, MPI for Polymer Research, Max Planck Society, ou_3612219

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Language(s): eng - English

Dates: Published Online: 2024-01-16Date issued: 2024

Publication Status: Issued

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Identifiers: DOI: 10.1039/d3sc03922f

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Title: Chemical Science

Abbreviation : Chem. Sci.

Source Genre: Journal

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Publ. Info: Cambridge, UK : Royal Society of Chemistry

Pages: - Volume / Issue: 15 (7) Sequence Number: - Start / End Page: 2518 - 2527 Identifier: ISSN: 2041-6520
CoNE: https://pure.mpg.de/cone/journals/resource/2041-6520