New and improved features of the docking software PLANTS
| Type of Publication: | Journal article |
| URI (citable link): | http://nbn-resolving.de/urn:nbn:de:bsz:352-opus-104680 |
| Author: | Exner, Thomas E.; Korb, Oliver; ten Brink, Tim |
| Year of publication: | 2009 |
| Published in: | Chemistry Central Journal ; 3 (2009), Suppl 1. - pp. P16. - ISSN 1752-153X |
| DOI (citable link): | https://dx.doi.org/10.1186/1752-153X-3-S1-P16 |
| Summary: |
We will summarize the latest developments for our protein-ligand docking software PLANTS (Protein-Ligand ANT System). This will include the pre-processing of the ligands and the protein performed by the program SPORES (Structure PrOtonation and REcognition System), parameterization of a new scoring function, as well as the inclusion of additional degrees of freedom into the docking process like flexible side chains and essential water molecules. The use of constraints from experimental data for improving the docking poses will be presented. Finally, an outlook towards the possible usage of the PLANTS approach for the flexible alignment of multiple ligands will be given.
|
| Subject (DDC): | 540 Chemistry |
| Link to License: | In Copyright |
| Bibliography of Konstanz: | Yes |
Cite This
Files in this item
![[PDF]](/themes/Kops/images/mimes/pdf.png "PDF file"){kind=small}
EXNER, Thomas E., Oliver KORB, Tim TEN BRINK, 2009. New and improved features of the docking software PLANTS. In: Chemistry Central Journal. 3(Suppl 1), pp. P16. ISSN 1752-153X. Available under: doi: 10.1186/1752-153X-3-S1-P16
@article{Exner2009impro-9724, title={New and improved features of the docking software PLANTS}, year={2009}, doi={10.1186/1752-153X-3-S1-P16}, number={Suppl 1}, volume={3}, issn={1752-153X}, journal={Chemistry Central Journal}, author={Exner, Thomas E. and Korb, Oliver and ten Brink, Tim}, note={Article Number: P16} }
<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/9724"> <dspace:hasBitstream rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/9724/1/exner_korb_tenbrink.pdf"/> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T18:13:57Z</dcterms:available> <dc:rights>terms-of-use</dc:rights> <dc:creator>Exner, Thomas E.</dc:creator> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T18:13:57Z</dc:date> <dcterms:title>New and improved features of the docking software PLANTS</dcterms:title> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/29"/> <dc:language>eng</dc:language> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/9724"/> <dcterms:issued>2009</dcterms:issued> <dc:creator>Korb, Oliver</dc:creator> <dcterms:rights rdf:resource="https://rightsstatements.org/page/InC/1.0/"/> <dc:contributor>Korb, Oliver</dc:contributor> <dc:contributor>Exner, Thomas E.</dc:contributor> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/29"/> <dc:creator>ten Brink, Tim</dc:creator> <dc:format>application/pdf</dc:format> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dcterms:abstract xml:lang="eng">We will summarize the latest developments for our protein-ligand docking software PLANTS (Protein-Ligand ANT System). This will include the pre-processing of the ligands and the protein performed by the program SPORES (Structure PrOtonation and REcognition System), parameterization of a new scoring function, as well as the inclusion of additional degrees of freedom into the docking process like flexible side chains and essential water molecules. The use of constraints from experimental data for improving the docking poses will be presented. Finally, an outlook towards the possible usage of the PLANTS approach for the flexible alignment of multiple ligands will be given.</dcterms:abstract> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/52"/> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/52"/> <dc:contributor>ten Brink, Tim</dc:contributor> <dcterms:hasPart rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/9724/1/exner_korb_tenbrink.pdf"/> <dcterms:bibliographicCitation>First publ. in: Chemistry Central Journal 3(Suppl 1):P16 (2009)</dcterms:bibliographicCitation> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> </rdf:Description> </rdf:RDF>
Downloads since Oct 1, 2014 (Information about access statistics)
| exner_korb_tenbrink.pdf | 116 |
This item appears in the following Collection(s)
Search KOPS
Browse
My Account
