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Results: 1 to 20 of 127

1.

Modulating protein-protein interactions with small molecules: the importance of binding hotspots.

Thangudu RR, Bryant SH, Panchenko AR, Madej T.

J Mol Biol. 2012 Jan 13;415(2):443-53. doi: 10.1016/j.jmb.2011.12.026. Epub 2011 Dec 16.

PMID:
22198293
[PubMed - indexed for MEDLINE]
Free PMC Article
2.

The overlap of small molecule and protein binding sites within families of protein structures.

Davis FP, Sali A.

PLoS Comput Biol. 2010 Feb 5;6(2):e1000668. doi: 10.1371/journal.pcbi.1000668.

PMID:
20140189
[PubMed - indexed for MEDLINE]
Free PMC Article
3.

Biophysical and computational fragment-based approaches to targeting protein-protein interactions: applications in structure-guided drug discovery.

Winter A, Higueruelo AP, Marsh M, Sigurdardottir A, Pitt WR, Blundell TL.

Q Rev Biophys. 2012 Nov;45(4):383-426. doi: 10.1017/S0033583512000108. Epub 2012 Sep 13. Review.

PMID:
22971516
[PubMed - indexed for MEDLINE]
4.

Form follows function: shape analysis of protein cavities for receptor-based drug design.

Weisel M, Proschak E, Kriegl JM, Schneider G.

Proteomics. 2009 Jan;9(2):451-9. doi: 10.1002/pmic.200800092.

PMID:
19142949
[PubMed - indexed for MEDLINE]
5.

Wrapping mimicking in drug-like small molecules disruptive of protein-protein interfaces.

Accordino SR, Morini MA, Sierra MB, Fris JA, Appignanesi GA, Fernández A.

Proteins. 2012 Jul;80(7):1755-65. doi: 10.1002/prot.24069. Epub 2012 Apr 16.

PMID:
22422633
[PubMed - indexed for MEDLINE]
6.

Structural properties of non-traditional drug targets present new challenges for virtual screening.

Gowthaman R, Deeds EJ, Karanicolas J.

J Chem Inf Model. 2013 Aug 26;53(8):2073-81. doi: 10.1021/ci4002316. Epub 2013 Aug 13.

PMID:
23879197
[PubMed - indexed for MEDLINE]
Free PMC Article
7.

Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins.

Poornima CS, Dean PM.

J Comput Aided Mol Des. 1995 Dec;9(6):521-31.

PMID:
8789194
[PubMed - indexed for MEDLINE]
8.

Reaching for high-hanging fruit in drug discovery at protein-protein interfaces.

Wells JA, McClendon CL.

Nature. 2007 Dec 13;450(7172):1001-9. Review.

PMID:
18075579
[PubMed - indexed for MEDLINE]
9.

Predicting druggable binding sites at the protein-protein interface.

Fuller JC, Burgoyne NJ, Jackson RM.

Drug Discov Today. 2009 Feb;14(3-4):155-61. doi: 10.1016/j.drudis.2008.10.009. Epub 2008 Dec 16. Review.

PMID:
19041415
[PubMed - indexed for MEDLINE]
10.

An integrative in silico approach for discovering candidates for drug-targetable protein-protein interactions in interactome data.

Sugaya N, Ikeda K, Tashiro T, Takeda S, Otomo J, Ishida Y, Shiratori A, Toyoda A, Noguchi H, Takeda T, Kuhara S, Sakaki Y, Iwayanagi T.

BMC Pharmacol. 2007 Aug 20;7:10.

PMID:
17705877
[PubMed - indexed for MEDLINE]
Free PMC Article
11.

Human cancer protein-protein interaction network: a structural perspective.

Kar G, Gursoy A, Keskin O.

PLoS Comput Biol. 2009 Dec;5(12):e1000601. doi: 10.1371/journal.pcbi.1000601. Epub 2009 Dec 11.

PMID:
20011507
[PubMed - indexed for MEDLINE]
Free PMC Article
12.

Modulating protein-protein interactions: from structural determinants of binding to druggability prediction to application.

Metz A, Ciglia E, Gohlke H.

Curr Pharm Des. 2012;18(30):4630-47. Review.

PMID:
22650257
[PubMed - indexed for MEDLINE]
13.

Protein interactions in 3D: from interface evolution to drug discovery.

Winter C, Henschel A, Tuukkanen A, Schroeder M.

J Struct Biol. 2012 Sep;179(3):347-58. doi: 10.1016/j.jsb.2012.04.009. Epub 2012 May 1. Review.

PMID:
22595401
[PubMed - indexed for MEDLINE]
14.

Binding-site assessment by virtual fragment screening.

Huang N, Jacobson MP.

PLoS One. 2010 Apr 9;5(4):e10109. doi: 10.1371/journal.pone.0010109.

PMID:
20404926
[PubMed - indexed for MEDLINE]
Free PMC Article
15.

Knowledge-based annotation of small molecule binding sites in proteins.

Thangudu RR, Tyagi M, Shoemaker BA, Bryant SH, Panchenko AR, Madej T.

BMC Bioinformatics. 2010 Jul 1;11:365. doi: 10.1186/1471-2105-11-365.

PMID:
20594344
[PubMed - indexed for MEDLINE]
Free PMC Article
16.

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.

PMID:
21573205
[PubMed - indexed for MEDLINE]
Free PMC Article
17.

Pharmacophore modelling as a virtual screening tool for the discovery of small molecule protein-protein interaction inhibitors.

Voet A, Zhang KY.

Curr Pharm Des. 2012;18(30):4586-98. Review.

PMID:
22650262
[PubMed - indexed for MEDLINE]
18.

Integrating statistical predictions and experimental verifications for enhancing protein-chemical interaction predictions in virtual screening.

Nagamine N, Shirakawa T, Minato Y, Torii K, Kobayashi H, Imoto M, Sakakibara Y.

PLoS Comput Biol. 2009 Jun;5(6):e1000397. doi: 10.1371/journal.pcbi.1000397. Epub 2009 Jun 5.

PMID:
19503826
[PubMed - indexed for MEDLINE]
Free PMC Article
19.

Exploring functional roles of multibinding protein interfaces.

Tyagi M, Shoemaker BA, Bryant SH, Panchenko AR.

Protein Sci. 2009 Aug;18(8):1674-83. doi: 10.1002/pro.181.

PMID:
19591200
[PubMed - indexed for MEDLINE]
Free PMC Article
20.

Beauty is in the eye of the beholder: proteins can recognize binding sites of homologous proteins in more than one way.

Martin J.

PLoS Comput Biol. 2010 Jun 17;6(6):e1000821. doi: 10.1371/journal.pcbi.1000821.

PMID:
20585553
[PubMed - indexed for MEDLINE]
Free PMC Article

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