| dbo:abstract |
FlexAID is a molecular docking software that can use small molecules and peptides as ligands and proteins and nucleic acids as docking targets. As the name suggests, FlexAID supports full ligand flexibility as well side-chain flexibility of the target. It does using a soft scoring function based on the complementarity of the two surfaces (ligand and target). FlexAID has been shown to outperform existing widely used software such as AutoDock Vina and FlexX in the prediction of binding poses. This is particularly true in cases where target flexibility is crucial, such as is likely to be the case when using homology models. The source code is available on GitHub under Apache License. (en) |
| dbo:genre |
dbr:Protein–ligand_docking |
| dbo:license |
dbr:Apache_License |
| dbo:programmingLanguage |
dbr:C++ dbr:C_(programming_language) |
| dbo:wikiPageExternalLink |
https://nrglab.github.io https://github.com/NRGlab/FlexAID |
| dbo:wikiPageID |
60837114 (xsd:integer) |
| dbo:wikiPageLength |
3294 (xsd:nonNegativeInteger) |
| dbo:wikiPageRevisionID |
1120487936 (xsd:integer) |
| dbo:wikiPageWikiLink |
dbr:PyMOL dbr:List_of_protein-ligand_docking_software dbr:Protein–ligand_docking dbc:Free_and_open-source_software dbr:GitHub dbr:Apache_License dbr:C++ dbr:C_(programming_language) dbr:Docking_(molecular) dbc:Molecular_modelling dbc:Molecular_modelling_software dbr:Virtual_screening dbr:AutoDock_Vina |
| dbp:author |
Louis-Philippe Morency, Francis Gaudreault, Rafael J. Najmanovich (en) |
| dbp:genre |
dbr:Protein–ligand_docking |
| dbp:license |
dbr:Apache_License |
| dbp:name |
Flexible Artificial Intelligence Docking (en) |
| dbp:operatingSystem |
Linux, macOS, Win64 (en) |
| dbp:platform |
x86_64, ARM-based System on Chip (en) |
| dbp:programmingLanguage |
dbr:C++ dbr:C_(programming_language) |
| dbp:repo |
https://github.com/NRGlab/FlexAID |
| dbp:website |
https://nrglab.github.io |
| dbp:wikiPageUsesTemplate |
dbt:Cleanup_bare_URLs dbt:Infobox_software dbt:Reflist dbt:Short_description dbt:Chemistry_software dbt:Science-software-stub |
| dct:subject |
dbc:Free_and_open-source_software dbc:Molecular_modelling dbc:Molecular_modelling_software |
| rdf:type |
owl:Thing dbo:Software schema:CreativeWork dbo:Work wikidata:Q386724 wikidata:Q7397 |
| rdfs:comment |
FlexAID is a molecular docking software that can use small molecules and peptides as ligands and proteins and nucleic acids as docking targets. As the name suggests, FlexAID supports full ligand flexibility as well side-chain flexibility of the target. It does using a soft scoring function based on the complementarity of the two surfaces (ligand and target). (en) |
| rdfs:label |
FlexAID (en) |
| owl:sameAs |
wikidata:FlexAID https://global.dbpedia.org/id/9yU5g |
| prov:wasDerivedFrom |
wikipedia-en:FlexAID?oldid=1120487936&ns=0 |
| foaf:homepage |
https://nrglab.github.io |
| foaf:isPrimaryTopicOf |
wikipedia-en:FlexAID |
| foaf:name |
Flexible Artificial Intelligence Docking (FlexAID) (en) |
| is dbo:wikiPageWikiLink of |
dbr:List_of_protein-ligand_docking_software dbr:Protein–ligand_docking |
| is foaf:primaryTopic of |
wikipedia-en:FlexAID |