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Adding hydrogen atoms to molecular models via fragment superimposition
BACKGROUND: Most experimentally determined structures of biomolecules lack annotated hydrogen positions due to their low electron density. However, thorough structure analysis and simulations require knowledge about the positions of hydrogen atoms. Existing methods for their prediction are either li...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8966362/ https://www.ncbi.nlm.nih.gov/pubmed/35351165 http://dx.doi.org/10.1186/s13015-022-00215-x |