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Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors

The inconsistencies in the performance of the virtual screening (VS) process, depending on the used software and structural conformation of the protein, is a challenging issue in the drug design and discovery field. Varying performance, especially in terms of early recognition of the potential hit c...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Chilingaryan, Garri, Abelyan, Narek, Sargsyan, Arsen, Nazaryan, Karen, Serobian, Andre, Zakaryan, Hovakim
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8169699/
https://ncbi.nlm.nih.gov/pubmed/34075175
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-91069-7
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