Ontology highlight
ABSTRACT:
SUBMITTER: Peng J
PROVIDER: S-EPMC10308543 | biostudies-literature | 2023 Jun
REPOSITORIES: biostudies-literature
Peng Jiao J Wang Li L Wang Pu P Pei Yong Y
ACS omega 20230612 25
The optimal adsorption sites and the binding energies of neutral Au<sub>3</sub> clusters with 20 natural amino acids under the gas phase and water solvation were systematically investigated based on density functional theory (DFT) calculations. The calculation results showed that in the gas phase Au<sub>3</sub> tends to bind with N atoms of amino groups in amino acids, except methionine, which tends to bind with Au<sub>3</sub> through S atoms. Under water solvation, Au<sub>3</sub> clusters tende ...[more]