Clauss, Gustavo, Abbehausen, Camilla and Leoni, Stefano  ORCID: https://orcid.org/0000-0003-4078-1000
2025.
Mechanistic insights into Au(i)(NHC)Cl targeting of the HIV-NCp7 zinc finger via metadynamics simulations.
Inorganic Chemistry Frontiers
10.1039/d5qi01601k
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License URL: http://rsc.li/journals-terms-of-use
License Start date: 29 August 2026
Official URL: https://doi.org/10.1039/d5qi01601k
Abstract
Stepwise mechanism of [Au(i)NHC]+ with HIV-NCp7 C-terminal ZF. The complex induces a proton transfer triggering the transmetallation, inhibiting activity.
| Item Type: | Article |
|---|---|
| Date Type: | Published Online |
| Status: | In Press |
| Schools: | Schools > Chemistry |
| Additional Information: | License information from Publisher: LICENSE 1: URL: http://rsc.li/journals-terms-of-use, Start Date: 2026-08-29 |
| Publisher: | Royal Society of Chemistry |
| Date of First Compliant Deposit: | 2 October 2025 |
| Date of Acceptance: | 29 August 2025 |
| Last Modified: | 02 Oct 2025 14:15 |
| URI: | https://orca.cardiff.ac.uk/id/eprint/181129 |
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