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Items: 1 to 20 of 222

1.

A computational approach to finding novel targets for existing drugs.

Li YY, An J, Jones SJ.

PLoS Comput Biol. 2011 Sep;7(9):e1002139. doi: 10.1371/journal.pcbi.1002139. Epub 2011 Sep 1.

2.

A large-scale computational approach to drug repositioning.

Li YY, An J, Jones SJ.

Genome Inform. 2006;17(2):239-47.

PMID:
17503396
3.

Predicting new indications for approved drugs using a proteochemometric method.

Dakshanamurthy S, Issa NT, Assefnia S, Seshasayee A, Peters OJ, Madhavan S, Uren A, Brown ML, Byers SW.

J Med Chem. 2012 Aug 9;55(15):6832-48. doi: 10.1021/jm300576q. Epub 2012 Jul 25.

4.

An integrated structure- and system-based framework to identify new targets of metabolites and known drugs.

Naveed H, Hameed US, Harrus D, Bourguet W, Arold ST, Gao X.

Bioinformatics. 2015 Dec 15;31(24):3922-9. doi: 10.1093/bioinformatics/btv477. Epub 2015 Aug 18.

5.

Combinations of protein-chemical complex structures reveal new targets for established drugs.

Kalinina OV, Wichmann O, Apic G, Russell RB.

PLoS Comput Biol. 2011 May;7(5):e1002043. doi: 10.1371/journal.pcbi.1002043. Epub 2011 May 5.

6.

Computational-experimental approach to drug-target interaction mapping: A case study on kinase inhibitors.

Cichonska A, Ravikumar B, Parri E, Timonen S, Pahikkala T, Airola A, Wennerberg K, Rousu J, Aittokallio T.

PLoS Comput Biol. 2017 Aug 7;13(8):e1005678. doi: 10.1371/journal.pcbi.1005678. eCollection 2017 Aug.

7.

Project ranks billions of drug interactions.

Reardon S.

Nature. 2013 Nov 28;503(7477):449-50. doi: 10.1038/503449a. No abstract available.

PMID:
24284710
8.

Toward a robust search method for the protein-drug docking problem.

Sadjad BS, Zsoldos Z.

IEEE/ACM Trans Comput Biol Bioinform. 2011 Jul-Aug;8(4):1120-33. doi: 10.1109/TCBB.2010.70.

PMID:
20714029
9.

Computational probing protein-protein interactions targeting small molecules.

Wang YC, Chen SL, Deng NY, Wang Y.

Bioinformatics. 2016 Jan 15;32(2):226-34. doi: 10.1093/bioinformatics/btv528. Epub 2015 Sep 28.

PMID:
26415726
10.

A screening pattern recognition method finds new and divergent targets for drugs and natural products.

Wassermann AM, Lounkine E, Urban L, Whitebread S, Chen S, Hughes K, Guo H, Kutlina E, Fekete A, Klumpp M, Glick M.

ACS Chem Biol. 2014 Jul 18;9(7):1622-31. doi: 10.1021/cb5001839. Epub 2014 Jun 2.

PMID:
24802392
11.

Chemical-protein interactome and its application in off-target identification.

Yang L, Wang KJ, Wang LS, Jegga AG, Qin SY, He G, Chen J, Xiao Y, He L.

Interdiscip Sci. 2011 Mar;3(1):22-30. doi: 10.1007/s12539-011-0051-8. Epub 2011 Mar 3. Review.

PMID:
21369884
12.

Target identification of covalently binding drugs by activity-based protein profiling (ABPP).

Pichler CM, Krysiak J, Breinbauer R.

Bioorg Med Chem. 2016 Aug 1;24(15):3291-303. doi: 10.1016/j.bmc.2016.03.050. Epub 2016 Mar 30. Review.

PMID:
27085673
13.

Ligand-target prediction by structural network biology using nAnnoLyze.

Martínez-Jiménez F, Marti-Renom MA.

PLoS Comput Biol. 2015 Mar 27;11(3):e1004157. doi: 10.1371/journal.pcbi.1004157. eCollection 2015 Mar.

14.
15.

Global optimization-based inference of chemogenomic features from drug-target interactions.

Zu S, Chen T, Li S.

Bioinformatics. 2015 Aug 1;31(15):2523-9. doi: 10.1093/bioinformatics/btv181. Epub 2015 Mar 29.

PMID:
25819672
16.

Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile.

van Laarhoven T, Marchiori E.

PLoS One. 2013 Jun 26;8(6):e66952. doi: 10.1371/journal.pone.0066952. Print 2013.

17.

A weighted and integrated drug-target interactome: drug repurposing for schizophrenia as a use case.

Huang LC, Soysal E, Zheng W, Zhao Z, Xu H, Sun J.

BMC Syst Biol. 2015;9 Suppl 4:S2. doi: 10.1186/1752-0509-9-S4-S2. Epub 2015 Jun 11.

18.

A chemogenomics view on protein-ligand spaces.

Strömbergsson H, Kleywegt GJ.

BMC Bioinformatics. 2009 Jun 16;10 Suppl 6:S13. doi: 10.1186/1471-2105-10-S6-S13.

19.

Network predicting drug's anatomical therapeutic chemical code.

Wang YC, Chen SL, Deng NY, Wang Y.

Bioinformatics. 2013 May 15;29(10):1317-24. doi: 10.1093/bioinformatics/btt158. Epub 2013 Apr 5.

PMID:
23564845
20.

Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines.

LaBute MX, Zhang X, Lenderman J, Bennion BJ, Wong SE, Lightstone FC.

PLoS One. 2014 Sep 5;9(9):e106298. doi: 10.1371/journal.pone.0106298. eCollection 2014.

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