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Items: 1 to 20 of 142

1.

AutoClickChem: click chemistry in silico.

Durrant JD, McCammon JA.

PLoS Comput Biol. 2012;8(3):e1002397. doi: 10.1371/journal.pcbi.1002397. Epub 2012 Mar 15.

2.

Drug discovery today.

Schwardt O, Kolb H, Ernst B.

Curr Top Med Chem. 2003;3(1):1-9. Review.

PMID:
12570684
3.

CLEVER: pipeline for designing in silico chemical libraries.

Song CM, Bernardo PH, Chai CL, Tong JC.

J Mol Graph Model. 2009 Jan;27(5):578-83. doi: 10.1016/j.jmgm.2008.09.009. Epub 2008 Sep 26.

PMID:
18986817
4.

Synergies of virtual screening approaches.

Muegge I.

Mini Rev Med Chem. 2008 Aug;8(9):927-33. Review.

PMID:
18691150
5.

Virtual screening of virtual libraries.

Green DV.

Prog Med Chem. 2003;41:61-97. Review.

PMID:
12774691
6.

Integrating virtual screening and combinatorial chemistry for accelerated drug discovery.

López-Vallejo F, Caulfield T, Martínez-Mayorga K, Giulianotti MA, Nefzi A, Houghten RA, Medina-Franco JL.

Comb Chem High Throughput Screen. 2011 Jul;14(6):475-87. Review.

PMID:
21521151
7.

Structure-directed combinatorial library design.

Zhou JZ.

Curr Opin Chem Biol. 2008 Jun;12(3):379-85. doi: 10.1016/j.cbpa.2008.02.007. Epub 2008 Mar 20. Review.

PMID:
18328830
8.

'One bead two compound libraries' for detecting chemical and biochemical conversions.

Meldal M.

Curr Opin Chem Biol. 2004 Jun;8(3):238-44. Review.

PMID:
15183321
9.

Applications of self-organizing neural networks in virtual screening and diversity selection.

Selzer P, Ertl P.

J Chem Inf Model. 2006 Nov-Dec;46(6):2319-23.

PMID:
17125175
10.
11.

Pursuing the leadlikeness concept in pharmaceutical research.

Hann MM, Oprea TI.

Curr Opin Chem Biol. 2004 Jun;8(3):255-63. Review.

PMID:
15183323
12.

Virtual screening: are we there yet?

Jalaie M, Shanmugasundaram V.

Mini Rev Med Chem. 2006 Oct;6(10):1159-67. Review.

PMID:
17073716
13.

Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening.

Xue L, Bajorath J.

Comb Chem High Throughput Screen. 2000 Oct;3(5):363-72. Review.

PMID:
11032954
14.

Virtual screening in drug design and development.

Sousa SF, Cerqueira NM, Fernandes PA, Ramos MJ.

Comb Chem High Throughput Screen. 2010 Jun;13(5):442-53. Review.

PMID:
20236061
15.

Trends in virtual combinatorial library design.

Schneider G.

Curr Med Chem. 2002 Dec;9(23):2095-101. Review.

PMID:
12470249
16.

"Plate cherry picking": a novel semi-sequential screening paradigm for cheaper, faster, information-rich compound selection.

Crisman TJ, Jenkins JL, Parker CN, Hill WA, Bender A, Deng Z, Nettles JH, Davies JW, Glick M.

J Biomol Screen. 2007 Apr;12(3):320-7.

PMID:
17438067
17.

Design and combinatorial synthesis of a novel kinase-focused library using click chemistry-based fragment assembly.

Irie T, Fujii I, Sawa M.

Bioorg Med Chem Lett. 2012 Jan 1;22(1):591-6. doi: 10.1016/j.bmcl.2011.10.076. Epub 2011 Oct 30.

PMID:
22104147
18.

Synthetic library design.

Huwe CM.

Drug Discov Today. 2006 Aug;11(15-16):763-7. Review.

PMID:
16846805
19.

Extraction of pharmacophore information from high-throughput screens.

Hopfinger AJ, Duca JS.

Curr Opin Biotechnol. 2000 Feb;11(1):97-103. Review.

PMID:
10679338
20.

Modern drug discovery technologies: opportunities and challenges in lead discovery.

Guido RV, Oliva G, Andricopulo AD.

Comb Chem High Throughput Screen. 2011 Dec;14(10):830-9. Review.

PMID:
21843147
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