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...

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Bibliographic Details
Published in:Nucleic Acids Res
Main Authors: Raček, Tomáš, Schindler, Ondřej, Toušek, Dominik, Horský, Vladimír, Berka, Karel, Koča, Jaroslav, Svobodová, Radka
Format: Artigo
Language:Inglês
Published: Oxford University Press 2020
Subjects:
Web Server Issue
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7319571/
https://ncbi.nlm.nih.gov/pubmed/32402071
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkaa367
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