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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6748739/ https://www.ncbi.nlm.nih.gov/pubmed/30698657 http://dx.doi.org/10.1093/bioinformatics/btz062 |