R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments

R.E.D. Server is a unique, open web service, designed to derive non-polarizable RESP and ESP charges and to build force field libraries for new molecules/molecular fragments. It provides to computational biologists the means to derive rigorously molecular electrostatic potential-based charges embedd...

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Detalles Bibliográficos
Autores principales: Vanquelef, Enguerran, Simon, Sabrina, Marquant, Gaelle, Garcia, Elodie, Klimerak, Geoffroy, Delepine, Jean Charles, Cieplak, Piotr, Dupradeau, François-Yves
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2011
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3125739/
https://www.ncbi.nlm.nih.gov/pubmed/21609950
http://dx.doi.org/10.1093/nar/gkr288

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3125739/
https://www.ncbi.nlm.nih.gov/pubmed/21609950
http://dx.doi.org/10.1093/nar/gkr288

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