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Results: 1 to 20 of 140

Similar articles for PubMed (Select 24590727)

1.

Screening Ligands by X-ray crystallography.

Davies DR.

Methods Mol Biol. 2014;1140:315-23. doi: 10.1007/978-1-4939-0354-2_23.

PMID:
24590727
2.

Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.

Silvestre HL, Blundell TL, Abell C, Ciulli A.

Proc Natl Acad Sci U S A. 2013 Aug 6;110(32):12984-9. doi: 10.1073/pnas.1304045110. Epub 2013 Jul 19.

3.

Design of compound libraries for fragment screening.

Blomberg N, Cosgrove DA, Kenny PW, Kolmodin K.

J Comput Aided Mol Des. 2009 Aug;23(8):513-25. doi: 10.1007/s10822-009-9264-5. Epub 2009 Mar 13.

PMID:
19283339
4.

Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.

Recht MI, Sridhar V, Badger J, Bounaud PY, Logan C, Chie-Leon B, Nienaber V, Torres FE.

J Biomol Screen. 2014 Apr;19(4):497-507. doi: 10.1177/1087057113516493. Epub 2013 Dec 27.

5.

Biophysical screening for the discovery of small-molecule ligands.

Ciulli A.

Methods Mol Biol. 2013;1008:357-88. doi: 10.1007/978-1-62703-398-5_13.

6.

Fragment-based drug discovery using rational design.

Jhoti H.

Ernst Schering Found Symp Proc. 2007;(3):169-85. Review.

PMID:
18510103
7.

Fragment screening using X-ray crystallography.

Davies TG, Tickle IJ.

Top Curr Chem. 2012;317:33-59. doi: 10.1007/128_2011_179. Review.

PMID:
21678136
8.

Predicting the success of fragment screening by X-ray crystallography.

Davies DR, Begley DW, Hartley RC, Staker BL, Stewart LJ.

Methods Enzymol. 2011;493:91-114. doi: 10.1016/B978-0-12-381274-2.00004-2.

PMID:
21371588
9.

Complementarity between in silico and biophysical screening approaches in fragment-based lead discovery against the A(2A) adenosine receptor.

Chen D, Ranganathan A, IJzerman AP, Siegal G, Carlsson J.

J Chem Inf Model. 2013 Oct 28;53(10):2701-14. doi: 10.1021/ci4003156. Epub 2013 Sep 18.

PMID:
23971943
10.

A three-stage biophysical screening cascade for fragment-based drug discovery.

Mashalidis EH, Śledź P, Lang S, Abell C.

Nat Protoc. 2013 Nov;8(11):2309-24. doi: 10.1038/nprot.2013.130. Epub 2013 Oct 24.

PMID:
24157549
11.

Combining biophysical screening and X-ray crystallography for fragment-based drug discovery.

Hennig M, Ruf A, Huber W.

Top Curr Chem. 2012;317:115-43. doi: 10.1007/128_2011_225. Review.

PMID:
21837555
12.

Crystallographic fragment screening.

Badger J.

Methods Mol Biol. 2012;841:161-77. doi: 10.1007/978-1-61779-520-6_7.

PMID:
22222452
13.

Efficiency of hit generation and structural characterization in fragment-based ligand discovery.

Larsson A, Jansson A, Åberg A, Nordlund P.

Curr Opin Chem Biol. 2011 Aug;15(4):482-8. doi: 10.1016/j.cbpa.2011.06.008. Epub 2011 Jul 1. Review.

PMID:
21724447
14.

Fragment based drug discovery using fluorescence correlation: spectroscopy techniques: challenges and solutions.

Hesterkamp T, Barker J, Davenport A, Whittaker M.

Curr Top Med Chem. 2007;7(16):1582-91. Review.

PMID:
17979769
15.

A comparative study of fragment screening methods on the p38α kinase: new methods, new insights.

Pollack SJ, Beyer KS, Lock C, Müller I, Sheppard D, Lipkin M, Hardick D, Blurton P, Leonard PM, Hubbard PA, Todd D, Richardson CM, Ahrens T, Baader M, Hafenbradl DO, Hilyard K, Bürli RW.

J Comput Aided Mol Des. 2011 Jul;25(7):677-87. doi: 10.1007/s10822-011-9454-9. Epub 2011 Jul 6.

16.

The rise of fragment-based drug discovery.

Murray CW, Rees DC.

Nat Chem. 2009 Jun;1(3):187-92. doi: 10.1038/nchem.217. Review.

PMID:
21378847
17.

Fragment-based drug discovery using a multidomain, parallel MD-MM/PBSA screening protocol.

Zhu T, Lee H, Lei H, Jones C, Patel K, Johnson ME, Hevener KE.

J Chem Inf Model. 2013 Mar 25;53(3):560-72. doi: 10.1021/ci300502h. Epub 2013 Mar 14.

18.

Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics.

Lau WF, Withka JM, Hepworth D, Magee TV, Du YJ, Bakken GA, Miller MD, Hendsch ZS, Thanabal V, Kolodziej SA, Xing L, Hu Q, Narasimhan LS, Love R, Charlton ME, Hughes S, van Hoorn WP, Mills JE.

J Comput Aided Mol Des. 2011 Jul;25(7):621-36. doi: 10.1007/s10822-011-9434-0. Epub 2011 May 21.

PMID:
21604056
19.

Fragment-based screening using X-ray crystallography and NMR spectroscopy.

Jhoti H, Cleasby A, Verdonk M, Williams G.

Curr Opin Chem Biol. 2007 Oct;11(5):485-93. Epub 2007 Sep 11. Review.

PMID:
17851109
20.

Target immobilization as a strategy for NMR-based fragment screening: comparison of TINS, STD, and SPR for fragment hit identification.

Kobayashi M, Retra K, Figaroa F, Hollander JG, Ab E, Heetebrij RJ, Irth H, Siegal G.

J Biomol Screen. 2010 Sep;15(8):978-89. doi: 10.1177/1087057110375614.

PMID:
20817886
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