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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...
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| Publicado no: | Nucleic Acids Res |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Oxford University Press
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7319571/ https://ncbi.nlm.nih.gov/pubmed/32402071 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkaa367 |
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