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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| 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 |