Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges

Partial atomic charges serve as a simple model for the electrostatic distribution of a molecule that drives its interactions with its surroundings. Since partial atomic charges are frequently used in computational chemistry, chemoinformatics and bioinformatics, many computational approaches for calc...

Descripción completa

Detalles Bibliográficos
Autores principales: Raček, Tomáš, Schindler, Ondřej, Toušek, Dominik, Horský, Vladimír, Berka, Karel, Koča, Jaroslav, Svobodová, Radka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Web Server Issue
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7319571/
https://www.ncbi.nlm.nih.gov/pubmed/32402071
http://dx.doi.org/10.1093/nar/gkaa367

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7319571/
https://www.ncbi.nlm.nih.gov/pubmed/32402071
http://dx.doi.org/10.1093/nar/gkaa367

Ejemplares similares