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...

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Detalles Bibliográficos
Autores principales: Santos, Denys E. S., Coutinho, Kaline, Soares, Thereza A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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