CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
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Publisher
London: Nature Publishing Group UK
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Language
English
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Publisher
London: Nature Publishing Group UK
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Contents
Computational and machine learning approaches to model the conformational landscape of macrocyclic peptides have the potential to enable rational design and optimization. However, accurate, fast, and scalable methods for modeling macrocycle geometries remain elusive. Recent deep learning approaches have significantly accelerated protein structure p...
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Full title
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
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TN_cdi_doaj_primary_oai_doaj_org_article_ab3300a15e9b4d60996b80fdf5758f0c
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_ab3300a15e9b4d60996b80fdf5758f0c
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ISSN
2052-4463
E-ISSN
2052-4463
DOI
10.1038/s41597-024-03698-y
