PharmRL: pharmacophore elucidation with deep geometric reinforcement learning
PharmRL: pharmacophore elucidation with deep geometric reinforcement learning
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Publisher
England: BioMed Central Ltd
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Language
English
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Publisher
England: BioMed Central Ltd
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Scope and Contents
Contents
Molecular interactions between proteins and their ligands are important for drug design. A pharmacophore consists of favorable molecular interactions in a protein binding site and can be utilized for virtual screening. Pharmacophores are easiest to identify from co-crystal structures of a bound protein-ligand complex. However, designing a pharmacop...
Alternative Titles
Full title
PharmRL: pharmacophore elucidation with deep geometric reinforcement learning
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TN_cdi_doaj_primary_oai_doaj_org_article_960994299fce4615bee504bf76a0a412
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_960994299fce4615bee504bf76a0a412
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ISSN
1741-7007
E-ISSN
1741-7007
DOI
10.1186/s12915-024-02096-5
