Linked Life Data

17508934

Source:http://linkedlifedata.com/resource/pubmed/id/17508934

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
10
pubmed:dateCreated
2007-5-18
pubmed:abstractText
Ligand-docking-based methods are starting to play a critical role in lead discovery and optimization, thus resulting in new 'drug-candidates'. They offer the possibility to go beyond the pool of existing active compounds, and thus find novel chemotypes. A brief tutorial on ligand docking and structure-based virtual screening is presented highlighting current problems and limitations, together with the most recent methodological and algorithmic developments in the field. Recent successful applications of docking-based tools for hit discovery, lead optimization and target-biased library design are also presented. Special consideration is devoted to ongoing efforts to account for protein flexibility in structure-based virtual screening.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:issn
1873-4294
pubmed:author
pubmed:issnType
Electronic
pubmed:volume
7
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1006-14
pubmed:meshHeading
pubmed:year
2007
pubmed:articleTitle
Ligand docking and structure-based virtual screening in drug discovery.
pubmed:affiliation
MolSoft LLC, 3366 North Torrey Pines Ct. #300, La Jolla, CA 92037, USA. Claudio.N.Cavasotto@uth.tmc.edu
pubmed:publicationType
Journal Article, Review