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electronic Ligand Builder and Optimization Workbench (eLBOW): a tool for ligand coordinate and restraint generation

The electronic Ligand Builder and Optimization Workbench (eLBOW) is a program module of the PHENIX suite of computational crystallographic software. It is designed to be a flexible procedure that uses simple and fast quantum-chemical techniques to provide chemically accurate information for novel an...

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Detalhes bibliográficos
Main Authors: Moriarty, Nigel W., Grosse-Kunstleve, Ralf W., Adams, Paul D.
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2748967/
https://ncbi.nlm.nih.gov/pubmed/19770504
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S0907444909029436
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