LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands

The accurate calculation of protein/nucleic acid–ligand interactions or condensed phase properties by force field-based methods require a precise description of the energetics of intermolecular interactions. Despite the progress made in force fields, small molecule parameterization remains an open p...

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Detalles Bibliográficos
Autores principales: Dodda, Leela S., Cabeza de Vaca, Israel, Tirado-Rives, Julian, Jorgensen, William L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2017
Materias:
Web Server Issue
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793816/
https://www.ncbi.nlm.nih.gov/pubmed/28444340
http://dx.doi.org/10.1093/nar/gkx312

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793816/
https://www.ncbi.nlm.nih.gov/pubmed/28444340
http://dx.doi.org/10.1093/nar/gkx312

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