R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries

The web-based RESP ESP charge DataBase (R.E.DD.B., http://q4md-forcefieldtools.org/REDDB) is a free and new source of RESP and ESP atomic charge values and force field libraries for model systems and/or small molecules. R.E.DD.B. stores highly effective and reproducible charge values and molecular s...

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Bibliografiske detaljer
Main Authors: Dupradeau, François-Yves, Cézard, Christine, Lelong, Rodolphe, Stanislawiak, Élodie, Pêcher, Julien, Delepine, Jean Charles, Cieplak, Piotr
Format: Artigo
Sprog:Inglês
Udgivet: Oxford University Press 2008
Fag:
Articles
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2238896/
https://ncbi.nlm.nih.gov/pubmed/17962302
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkm887
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