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15031495
Source:
http://linkedlifedata.com/resource/pubmed/id/15031495
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Predicate
Object
rdf:type
pubmed:Citation
lifeskim:mentions
umls-concept:C0035820
,
umls-concept:C0920472
,
umls-concept:C1880157
pubmed:issue
5665
pubmed:dateCreated
2004-3-19
pubmed:abstractText
An overview is given on the diverse uses of computational chemistry in drug discovery. Particular emphasis is placed on virtual screening, de novo design, evaluation of drug-likeness, and advanced methods for determining protein-ligand binding.
pubmed:language
eng
pubmed:journal
http://linkedlifedata.com/resource/pubmed/journal/0404511
pubmed:citationSubset
IM
pubmed:chemical
http://linkedlifedata.com/resource/pubmed/chemical/Ligands
,
http://linkedlifedata.com/resource/pubmed/chemical/Pharmaceutical Preparations
,
http://linkedlifedata.com/resource/pubmed/chemical/Proteins
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
1095-9203
pubmed:author
pubmed-author:JorgensenWilliam LWL
pubmed:issnType
Electronic
pubmed:day
19
pubmed:volume
303
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1813-8
pubmed:dateRevised
2007-3-19
pubmed:meshHeading
pubmed-meshheading:15031495-Computer Simulation
,
pubmed-meshheading:15031495-Computers
,
pubmed-meshheading:15031495-Drug Design
,
pubmed-meshheading:15031495-Drug Evaluation, Preclinical
,
pubmed-meshheading:15031495-Ligands
,
pubmed-meshheading:15031495-Models, Molecular
,
pubmed-meshheading:15031495-Molecular Structure
,
pubmed-meshheading:15031495-Pharmaceutical Preparations
,
pubmed-meshheading:15031495-Protein Binding
,
pubmed-meshheading:15031495-Proteins
,
pubmed-meshheading:15031495-Software
pubmed:year
2004
pubmed:articleTitle
The many roles of computation in drug discovery.
pubmed:affiliation
Department of Chemistry, Yale University, New Haven, CT 06520-8107, USA. william.jorgensen@yale.edu
pubmed:publicationType
Journal Article
,
Research Support, U.S. Gov't, P.H.S.
,
Research Support, U.S. Gov't, Non-P.H.S.
,
Review