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High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment
[Image: see text] Knowledge of the putative bound-state conformation of a molecule is an essential prerequisite for the successful application of many computer-aided drug design methods that aim to assess or predict its capability to bind to a particular target receptor. An established approach to p...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10498443/ https://www.ncbi.nlm.nih.gov/pubmed/37624145 http://dx.doi.org/10.1021/acs.jcim.3c00563 |