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Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate d...

Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate d...

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_723fa34d85bd42ff9cba9172a8c7d336

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

About this item

Full title

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

Publisher

London: Nature Publishing Group UK

Journal title

Scientific reports, 2021-06, Vol.11 (1), p.11417-11, Article 11417

Language

English

Formats

Publication information

Publisher

London: Nature Publishing Group UK

More information

Scope and Contents

Contents

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 compounds, negatively affects the whole process and...

Alternative Titles

Full title

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

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_doaj_primary_oai_doaj_org_article_723fa34d85bd42ff9cba9172a8c7d336

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_723fa34d85bd42ff9cba9172a8c7d336

Other Identifiers

ISSN

2045-2322

E-ISSN

2045-2322

DOI

10.1038/s41598-021-91069-7

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