Ligand configurational entropy and protein binding
Ligand configurational entropy and protein binding
About this item
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Publisher
United States: National Academy of Sciences
Journal title
Language
English
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Publisher
United States: National Academy of Sciences
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Scope and Contents
Contents
The restriction of a small molecule's motion on binding to a protein causes a loss of configurational entropy, and thus a penalty in binding affinity. Some energy models used in computer-aided ligand design neglect this entropic penalty, whereas others account for it based on an expected drop in the number of accessible rotamers upon binding. Howev...
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Full title
Ligand configurational entropy and protein binding
Authors, Artists and Contributors
Author / Creator
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Record Identifier
TN_cdi_crossref_primary_10_1073_pnas_0610494104
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_crossref_primary_10_1073_pnas_0610494104
Other Identifiers
ISSN
0027-8424
E-ISSN
1091-6490
DOI
10.1073/pnas.0610494104
