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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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Bibliografiset tiedot
Julkaisussa:Bioinformatics
Päätekijät: Ribeiro, Judemir, Ríos-Vera, Carlos, Melo, Francisco, Schüller, Andreas
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Oxford University Press 2019
Aiheet:
Linkit: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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