Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering.

Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering.

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http://www.wikidata.org/entity/Q33315292
IspE inhibitors identified by a combination of in silico and in vitro high-throughput screeningInsight into the interactions between novel isoquinolin-1,3-dione derivatives and cyclin-dependent kinase 4 combining QSAR and molecular dockingPharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets.Inhibition of Eimeria tenella CDK-related kinase 2: From target identification to lead compounds.An integrated approach to knowledge-driven structure-based virtual screening.Investigation of the structure requirement for 5-HT₆ binding affinity of arylsulfonyl derivatives: a computational studyPrediction and evaluation of the lipase inhibitory activities of tea polyphenols with 3D-QSAR modelsHigh-throughput and in silico screenings in drug discovery.The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening.Sirtuin 5: a review of structure, known inhibitors and clues for developing new inhibitors.Cheminformatics meets molecular mechanics: a combined application of knowledge-based pose scoring and physical force field-based hit scoring functions improves the accuracy of structure-based virtual screeningNew molecular insights into the tyrosyl-tRNA synthase inhibitors: CoMFA, CoMSIA analyses and molecular docking studies.QSAR modeling and molecular interaction analysis of natural compounds as potent neuraminidase inhibitors.
P2860

Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering.

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http://www.wikidata.org/entity/Q33315292
description
2007 nî lūn-bûn
@nan
2007 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Is it possible to increase hit ...... nd pitfalls of post-filtering.
@ast
Is it possible to increase hit ...... nd pitfalls of post-filtering.
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Is it possible to increase hit ...... nd pitfalls of post-filtering.
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type
label
Is it possible to increase hit ...... nd pitfalls of post-filtering.
@ast
Is it possible to increase hit ...... nd pitfalls of post-filtering.
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Is it possible to increase hit ...... nd pitfalls of post-filtering.
@nl
prefLabel
Is it possible to increase hit ...... nd pitfalls of post-filtering.
@ast
Is it possible to increase hit ...... nd pitfalls of post-filtering.
@en
Is it possible to increase hit ...... nd pitfalls of post-filtering.
@nl
P1433
P1476
P2093
P304
P31
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P433
P478
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P577
P698
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P1433
P1476
Is it possible to increase hit ...... and pitfalls of post-filtering
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P2093
P304
P31
P356
10.1016/J.JMGM.2007.11.005
P433
P478
P50
P577
P698