Year: 2025
Type: article
Abstract: a thioester intermediate and disulphide bridge formation. It was found that ANI-2x performs poorly at the prediction of high energy structures yet provides rapid, thorough sampling of reaction pathways making it useful for informing further calculations at higher levels of theory.
Source: Chemical Communications
DOI: 10.1039/d5cc02090e
Institution: University of Strathclyde
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: hybrid
OpenAlex ID: W4411831272