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Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges
Partial atomic charges serve as a simple model for the electrostatic distribution of a molecule that drives its interactions with its surroundings. Since partial atomic charges are frequently used in computational chemistry, chemoinformatics and bioinformatics, many computational approaches for calc...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7319571/ https://www.ncbi.nlm.nih.gov/pubmed/32402071 http://dx.doi.org/10.1093/nar/gkaa367 |