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

Open access
Moriarty, Nigel W., Grosse-Kunstleve, Ralf W., Adams, Paul D.·2009·Acta Crystallographica Section D Biological Crystallography

Abstract

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 and known ligands alike. A variety of input formats and options allow the attainment of a number of diverse goals including geometry optimization and generation of restraints.

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Metadata

Authors
Moriarty, N. W., Grosse-Kunstleve, R. W., & Adams, P. D.
Venue
Acta Crystallographica Section D Biological Crystallography
Published
2009-09-16
Volume
65
Issue
10
Pages
1074-1080
ISSN
0907-4449 (ISSN-L)
OpenAlex
W2098167941
Cited by
1,330
References
1
FWCI
6.38
Type
journal article
Language
en
Open access
hybrid
Licence

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CoChat. (2026). Citation check: electronic Ligand Builder and Optimization Workbench(eLBOW): a tool for ligand coordinate and restraint generation. https://app.cochat.ai/papers/10.1107/s0907444909029436
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Moriarty, N. W., Grosse-Kunstleve, R. W., & Adams, P. D. (2009). electronic Ligand Builder and Optimization Workbench(eLBOW): a tool for ligand coordinate and restraint generation. Acta Crystallographica Section D Biological Crystallography. https://doi.org/10.1107/s0907444909029436

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