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Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape
[Image: see text] The surface assessment via grid evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of structural properties of chemical interfaces regardless of the chemical composition, asymmetry, and level of atom coarseness. It employs different...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554907/ https://www.ncbi.nlm.nih.gov/pubmed/35946873 http://dx.doi.org/10.1021/acs.jcim.2c00673 |