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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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Detalles Bibliográficos
Autor principal: Alonso‐Gil, Santiago
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2021
Materias:
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