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Confab - Systematic generation of diverse low-energy conformers
BACKGROUND: Many computational chemistry analyses require the generation of conformers, either on-the-fly, or in advance. We present Confab, an open source command-line application for the systematic generation of low-energy conformers according to a diversity criterion. RESULTS: Confab generates co...
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| Autori principali: | , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
BioMed Central
2011
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3073927/ https://ncbi.nlm.nih.gov/pubmed/21410983 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-3-8 |
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