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Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives
[Image: see text] Geometry is crucial in our efforts to comprehend the structures and dynamics of biomolecules. For example, volume, surface area, and integrated mean and Gaussian curvature of the union of balls representing a molecule are used to quantify its interactions with the water surrounding...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9930125/ https://www.ncbi.nlm.nih.gov/pubmed/36638318 http://dx.doi.org/10.1021/acs.jcim.2c01346 |