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Predicting biomolecule adsorption on MoS(2) nanosheets with high structural fidelity

A new force field, MoSu-CHARMM, for the description of bio-interfacial structures at the aqueous MoS(2) interface is developed, based on quantum chemical data. The force field describes non-covalent interactions between the MoS(2) surface and a wide range of chemistries including hydrocarbon, alcoho...

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Detalles Bibliográficos
Autores principales:	Pham, Le Nhan, Walsh, Tiffany R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9093178/ https://www.ncbi.nlm.nih.gov/pubmed/35655578 http://dx.doi.org/10.1039/d1sc06814h

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