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Items: 1 to 20 of 76

1.

A high-throughput screen for aggregation-based inhibition in a large compound library.

Feng BY, Simeonov A, Jadhav A, Babaoglu K, Inglese J, Shoichet BK, Austin CP.

J Med Chem. 2007 May 17;50(10):2385-90. Epub 2007 Apr 21.

PMID:
17447748
2.

Identification and prediction of promiscuous aggregating inhibitors among known drugs.

Seidler J, McGovern SL, Doman TN, Shoichet BK.

J Med Chem. 2003 Oct 9;46(21):4477-86.

PMID:
14521410
3.

Interpreting steep dose-response curves in early inhibitor discovery.

Shoichet BK.

J Med Chem. 2006 Dec 14;49(25):7274-7.

PMID:
17149857
4.

An Aggregation Advisor for Ligand Discovery.

Irwin JJ, Duan D, Torosyan H, Doak AK, Ziebart KT, Sterling T, Tumanian G, Shoichet BK.

J Med Chem. 2015 Sep 10;58(17):7076-87. doi: 10.1021/acs.jmedchem.5b01105. Epub 2015 Aug 28.

PMID:
26295373
5.

A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening.

McGovern SL, Caselli E, Grigorieff N, Shoichet BK.

J Med Chem. 2002 Apr 11;45(8):1712-22.

PMID:
11931626
6.

High-throughput assays for promiscuous inhibitors.

Feng BY, Shelat A, Doman TN, Guy RK, Shoichet BK.

Nat Chem Biol. 2005 Aug;1(3):146-8. Epub 2005 Jul 3.

PMID:
16408018
7.

High impact technologies for natural products screening.

Koehn FE.

Prog Drug Res. 2008;65:175, 177-210. Review.

PMID:
18084916
8.

Mass spectrometric techniques for label-free high-throughput screening in drug discovery.

Roddy TP, Horvath CR, Stout SJ, Kenney KL, Ho PI, Zhang JH, Vickers C, Kaushik V, Hubbard B, Wang YK.

Anal Chem. 2007 Nov 1;79(21):8207-13. Epub 2007 Sep 29.

PMID:
17902631
9.

poolHiTS: a shifted transversal design based pooling strategy for high-throughput drug screening.

Kainkaryam RM, Woolf PJ.

BMC Bioinformatics. 2008 May 30;9:256. doi: 10.1186/1471-2105-9-256.

10.

A collaborative hit-to-lead investigation leveraging medicinal chemistry expertise with high throughput library design, synthesis and purification capabilities.

Yang X, Parker D, Whitehead L, Ryder NS, Weidmann B, Stabile-Harris M, Kizer D, McKinnon M, Smellie A, Powers D.

Comb Chem High Throughput Screen. 2006 Feb;9(2):123-30.

PMID:
16475970
11.

Data mining a small molecule drug screening representative subset from NIH PubChem.

Xie XQ, Chen JZ.

J Chem Inf Model. 2008 Mar;48(3):465-75. doi: 10.1021/ci700193u. Epub 2008 Feb 27.

PMID:
18302356
12.

Determining the optimal size of small molecule mixtures for high throughput NMR screening.

Mercier KA, Powers R.

J Biomol NMR. 2005 Mar;31(3):243-58.

PMID:
15803397
13.

Screening in a spirit haunted world.

Shoichet BK.

Drug Discov Today. 2006 Jul;11(13-14):607-15. Review.

14.

Identification of small molecule aggregators from large compound libraries by support vector machines.

Rao H, Li Z, Li X, Ma X, Ung C, Li H, Liu X, Chen Y.

J Comput Chem. 2010 Mar;31(4):752-63. doi: 10.1002/jcc.21347.

PMID:
19569201
15.

NMR-based quality control approach for the identification of false positives and false negatives in high throughput screening.

Dalvit C, Caronni D, Mongelli N, Veronesi M, Vulpetti A.

Curr Drug Discov Technol. 2006 Jun;3(2):115-24.

PMID:
16925519
16.

False positives in the early stages of drug discovery.

Sink R, Gobec S, Pečar S, Zega A.

Curr Med Chem. 2010;17(34):4231-55. Review.

PMID:
20939815
18.

Stability and equilibria of promiscuous aggregates in high protein milieus.

Coan KE, Shoichet BK.

Mol Biosyst. 2007 Mar;3(3):208-13. Epub 2007 Jan 2.

PMID:
17308667
19.

Synergy and antagonism of promiscuous inhibition in multiple-compound mixtures.

Feng BY, Shoichet BK.

J Med Chem. 2006 Apr 6;49(7):2151-4. Erratum in: J Med Chem. 2007 Jun 14;50(12):2930.

20.

Large-scale annotation of small-molecule libraries using public databases.

Zhou Y, Zhou B, Chen K, Yan SF, King FJ, Jiang S, Winzeler EA.

J Chem Inf Model. 2007 Jul-Aug;47(4):1386-94. Epub 2007 Jul 3.

PMID:
17608408
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