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Calculation of accurate interatomic contact surface areas for the quantitative analysis of non-bonded molecular interactions
SUMMARY: Intra- and intermolecular contact surfaces are routinely calculated for a large array of applications in bioinformatics but are typically approximated from differential solvent accessible surface area calculations and not calculated directly. These approximations do not properly take the ef...
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| Publicado no: | Bioinformatics |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Oxford University Press
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6748739/ https://ncbi.nlm.nih.gov/pubmed/30698657 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btz062 |
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