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MonteCarbo: A software to generate and dock multifunctionalized ring molecules
MonteCarbo is an open‐source software to construct simple 5‐, 6‐, and 7‐membered ring multifunctionalized monosaccharides and nucleobases and dock them into the active site of carbohydrate‐active enzymes. The core bash script executes simple orders to generate the Z‐matrix of the neutral molecule of...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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John Wiley & Sons, Inc.
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8359999/ https://www.ncbi.nlm.nih.gov/pubmed/33982793 http://dx.doi.org/10.1002/jcc.26559 |