Predicting biomolecule adsorption on MoS2 nanosheets with high structural fidelity

Autor:	Le Nhan Pham, Tiffany Walsh
Rok vydání:	2022
Předmět:	General Chemistry
Zdroj:	Chemical Science. 13:5186-5195
ISSN:	2041-6539 2041-6520
DOI:	10.1039/d1sc06814h
Popis:	Benchmarked van der Waals density functional theory calculations are used to create a force-field to describe biomolecule interactions at the aqueous MoS2 interface, which can recover interfacial biomolecule adsorption with high structural fidelity.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8ef6bcf3dc95cf2fde49d4871bf5cf3e https://doi.org/10.1039/d1sc06814h Zobrazit plný text záznamu