Evaluating the use of absolute binding free energy in the fragment optimisation process
Evaluating the use of absolute binding free energy in the fragment optimisation process
About this item
Full title
Author / Creator
Publisher
London: Nature Publishing Group UK
Journal title
Language
English
Formats
Publication information
Publisher
London: Nature Publishing Group UK
Subjects
More information
Scope and Contents
Contents
Key to the fragment optimisation process within drug design is the need to accurately capture the changes in affinity that are associated with a given set of chemical modifications. Due to the weakly binding nature of fragments, this has proven to be a challenging task, despite recent advancements in leveraging experimental and computational method...
Alternative Titles
Full title
Evaluating the use of absolute binding free energy in the fragment optimisation process
Authors, Artists and Contributors
Author / Creator
Identifiers
Primary Identifiers
Record Identifier
TN_cdi_doaj_primary_oai_doaj_org_article_a95d1b1c3d6f4cbf923dfd00f0673617
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_a95d1b1c3d6f4cbf923dfd00f0673617
Other Identifiers
ISSN
2399-3669
E-ISSN
2399-3669
DOI
10.1038/s42004-022-00721-4
