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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Bibliografiske detaljer
Udgivet i:Nucleic Acids Res
Main Authors: Dodda, Leela S., Cabeza de Vaca, Israel, Tirado-Rives, Julian, Jorgensen, William L.
Format: Artigo
Sprog:Inglês
Udgivet: Oxford University Press 2017
Fag:
Web Server Issue
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5793816/
https://ncbi.nlm.nih.gov/pubmed/28444340
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkx312
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