Kinase-Kernel Models: Accurate Chemogenomic Method for the Entire Human Kinome

被引：1

作者：

Tian, Li ^{[1
]}

Mukherjee, Prasenjit

Martin, Eric ^{[1
]}

机构：

[1] Novartis Inst Biomed Res, Emeryville, CA 94608 USA

来源：

MOLECULAR INFORMATICS | 2013年 / 32卷 / 11-12期

关键词：

Kernel; Chemogenomics; Kinomics; Virtual screening; Chemoinformatics; AUTOSHIM;

D O I：

10.1002/minf.201300091

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Chemogenomic kinase-kernel virtual screening models interpolate between very accurate, empirically-trained Profile-QSAR models of the nearest binding-site homologues with IC50 assay data. Between them, activity has been predicted for the entire human kinome.

引用

页码：922 / 928

页数：7

共 4 条

[1] Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome
Martin, Eric
Mukherjee, Prasenjit
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2012, 52 (01) : 156 - 170
[2] An efficient and accurate method for constructing 3D human models from multiple cameras
Quah, C. K.
Gagalowicz, A.
Seah, H. S.
IMPACT OF TECHNOLOGY ON SPORTS II, 2008, : 113 - +
[3] Evaluating the duel kinase inhibitor lapatinib: Bioanalytical method development and pharmacokinetic analysis in mouse, rat, and human and determination of in vivo efficacy in a panel of EGFR wildtype and mutant human tumor xenograft models
Cooper, J.
Nieves, F. E.
Kuhn, J.
Takimoto, C. H.
Tolcher, A. W.
Wick, M. J.
EJC SUPPLEMENTS, 2008, 6 (12): : 24 - 25
[4] Preclinical evaluation of the tyrosine kinase inhibitor erlotinib: Bioanalytical method development and pharmacokinetic analysis and in vivo evaluation and comparison in a panel of human EGFR wildtype and mutant tumor xenograft models
Nieves, F. E.
Cooper, J.
Mangold, G. L.
Kuhn, J.
Takimoto, C. H.
Tolcher, A. W.
Wick, M. J.
EJC SUPPLEMENTS, 2008, 6 (12): : 25 - 25

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