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Items: 1 to 20 of 90

1.

Druggability of dynamic protein-protein interfaces.

Ulucan O, Eyrisch S, Helms V.

Curr Pharm Des. 2012;18(30):4599-606. Review.

PMID:
22650258
2.

Flexibility and small pockets at protein-protein interfaces: New insights into druggability.

Jubb H, Blundell TL, Ascher DB.

Prog Biophys Mol Biol. 2015 Oct;119(1):2-9. doi: 10.1016/j.pbiomolbio.2015.01.009. Epub 2015 Feb 7. Review.

3.

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
4.
5.

Drug-like density: a method of quantifying the "bindability" of a protein target based on a very large set of pockets and drug-like ligands from the Protein Data Bank.

Sheridan RP, Maiorov VN, Holloway MK, Cornell WD, Gao YD.

J Chem Inf Model. 2010 Nov 22;50(11):2029-40. doi: 10.1021/ci100312t. Epub 2010 Oct 26.

PMID:
20977231
6.

Transient pockets on XIAP-BIR2: toward the characterization of putative binding sites of small-molecule XIAP inhibitors.

Eyrisch S, Medina-Franco JL, Helms V.

J Mol Model. 2012 May;18(5):2031-42. doi: 10.1007/s00894-011-1217-y. Epub 2011 Aug 30.

PMID:
21877153
7.

Protein Binding Pocket Dynamics.

Stank A, Kokh DB, Fuller JC, Wade RC.

Acc Chem Res. 2016 May 17;49(5):809-15. doi: 10.1021/acs.accounts.5b00516. Epub 2016 Apr 25. Review.

8.

MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories.

Schmidtke P, Bidon-Chanal A, Luque FJ, Barril X.

Bioinformatics. 2011 Dec 1;27(23):3276-85. doi: 10.1093/bioinformatics/btr550. Epub 2011 Oct 3.

PMID:
21967761
9.

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery.

PĂ©rot S, Sperandio O, Miteva MA, Camproux AC, Villoutreix BO.

Drug Discov Today. 2010 Aug;15(15-16):656-67. doi: 10.1016/j.drudis.2010.05.015. Epub 2010 Jun 4. Review.

PMID:
20685398
10.

Druggable protein interaction sites are more predisposed to surface pocket formation than the rest of the protein surface.

Johnson DK, Karanicolas J.

PLoS Comput Biol. 2013;9(3):e1002951. doi: 10.1371/journal.pcbi.1002951. Epub 2013 Mar 7.

11.

Structural conservation of druggable hot spots in protein-protein interfaces.

Kozakov D, Hall DR, Chuang GY, Cencic R, Brenke R, Grove LE, Beglov D, Pelletier J, Whitty A, Vajda S.

Proc Natl Acad Sci U S A. 2011 Aug 16;108(33):13528-33. doi: 10.1073/pnas.1101835108. Epub 2011 Aug 1.

12.

PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins.

Hussein HA, Borrel A, Geneix C, Petitjean M, Regad L, Camproux AC.

Nucleic Acids Res. 2015 Jul 1;43(W1):W436-42. doi: 10.1093/nar/gkv462. Epub 2015 May 8.

13.

Understanding and predicting druggability. A high-throughput method for detection of drug binding sites.

Schmidtke P, Barril X.

J Med Chem. 2010 Aug 12;53(15):5858-67. doi: 10.1021/jm100574m.

PMID:
20684613
14.

TRAPP: a tool for analysis of transient binding pockets in proteins.

Kokh DB, Richter S, Henrich S, Czodrowski P, Rippmann F, Wade RC.

J Chem Inf Model. 2013 May 24;53(5):1235-52. doi: 10.1021/ci4000294. Epub 2013 May 16.

PMID:
23621586
15.

Computational approaches to identifying and characterizing protein binding sites for ligand design.

Henrich S, Salo-Ahen OM, Huang B, Rippmann FF, Cruciani G, Wade RC.

J Mol Recognit. 2010 Mar-Apr;23(2):209-19. doi: 10.1002/jmr.984.

PMID:
19746440
16.

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
17.

Computational drug design targeting protein-protein interactions.

Bienstock RJ.

Curr Pharm Des. 2012;18(9):1240-54. Review.

PMID:
22316151
18.

Comprehensive identification of "druggable" protein ligand binding sites.

An J, Totrov M, Abagyan R.

Genome Inform. 2004;15(2):31-41.

PMID:
15706489
19.

Predicting gene ontology functions from protein's regional surface structures.

Liu ZP, Wu LY, Wang Y, Chen L, Zhang XS.

BMC Bioinformatics. 2007 Dec 11;8:475.

20.

A Collective Variable for the Rapid Exploration of Protein Druggability.

Cuchillo R, Pinto-Gil K, Michel J.

J Chem Theory Comput. 2015 Mar 10;11(3):1292-307. doi: 10.1021/ct501072t.

PMID:
26579775

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