Combining fragment docking with graph theory to improve ligand docking for homology model structures
Combining fragment docking with graph theory to improve ligand docking for homology model structures
About this item
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Publisher
Cham: Springer International Publishing
Journal title
Language
English
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Publication information
Publisher
Cham: Springer International Publishing
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Scope and Contents
Contents
Computational protein–ligand docking is well-known to be prone to inaccuracies in input receptor structures, and it is challenging to obtain good docking results with computationally predicted receptor structures (e.g. through homology modeling). Here we introduce a fragment-based docking method and test if it reduces requirements on the accuracy o...
Alternative Titles
Full title
Combining fragment docking with graph theory to improve ligand docking for homology model structures
Authors, Artists and Contributors
Author / Creator
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Primary Identifiers
Record Identifier
TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_7544562
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_7544562
Other Identifiers
ISSN
0920-654X
E-ISSN
1573-4951
DOI
10.1007/s10822-020-00345-7
