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Items: 1 to 20 of 1400

1.

Protein flexibility in ligand docking and virtual screening to protein kinases.

Cavasotto CN, Abagyan RA.

J Mol Biol. 2004 Mar 12;337(1):209-25.

PMID:
15001363
2.

Representing receptor flexibility in ligand docking through relevant normal modes.

Cavasotto CN, Kovacs JA, Abagyan RA.

J Am Chem Soc. 2005 Jul 6;127(26):9632-40.

PMID:
15984891
3.

FlexE: efficient molecular docking considering protein structure variations.

Claussen H, Buning C, Rarey M, Lengauer T.

J Mol Biol. 2001 Apr 27;308(2):377-95.

PMID:
11327774
4.

Molecular docking of balanol to dynamics snapshots of protein kinase A.

Wong CF, Kua J, Zhang Y, Straatsma TP, McCammon JA.

Proteins. 2005 Dec 1;61(4):850-8.

PMID:
16245317
5.
6.
7.

FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.

Taylor RD, Jewsbury PJ, Essex JW.

J Comput Chem. 2003 Oct;24(13):1637-56.

PMID:
12926007
8.

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.

Perola E, Walters WP, Charifson PS.

Proteins. 2004 Aug 1;56(2):235-49.

PMID:
15211508
9.

Fully automated molecular mechanics based induced fit protein-ligand docking method.

Koska J, Spassov VZ, Maynard AJ, Yan L, Austin N, Flook PK, Venkatachalam CM.

J Chem Inf Model. 2008 Oct;48(10):1965-73. doi: 10.1021/ci800081s. Epub 2008 Sep 25.

PMID:
18816046
10.

Optimization of high throughput virtual screening by combining shape-matching and docking methods.

Lee HS, Choi J, Kufareva I, Abagyan R, Filikov A, Yang Y, Yoon S.

J Chem Inf Model. 2008 Mar;48(3):489-97. doi: 10.1021/ci700376c. Epub 2008 Feb 27.

PMID:
18302357
11.

Testing a flexible-receptor docking algorithm in a model binding site.

Wei BQ, Weaver LH, Ferrari AM, Matthews BW, Shoichet BK.

J Mol Biol. 2004 Apr 9;337(5):1161-82.

PMID:
15046985
12.

FLIPDock: docking flexible ligands into flexible receptors.

Zhao Y, Sanner MF.

Proteins. 2007 Aug 15;68(3):726-37.

PMID:
17523154
13.
14.

Use of an induced fit receptor structure in virtual screening.

Sherman W, Beard HS, Farid R.

Chem Biol Drug Des. 2006 Jan;67(1):83-4.

PMID:
16492153
15.

Protein-ligand docking accounting for receptor side chain and global flexibility in normal modes: evaluation on kinase inhibitor cross docking.

May A, Zacharias M.

J Med Chem. 2008 Jun 26;51(12):3499-506. doi: 10.1021/jm800071v. Epub 2008 Jun 3.

PMID:
18517186
16.

Flexible protein-flexible ligand docking with disrupted velocity simulated annealing.

Huang Z, Wong CF, Wheeler RA.

Proteins. 2008 Apr;71(1):440-54.

PMID:
17957770
17.

HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.

Floriano WB, Vaidehi N, Zamanakos G, Goddard WA 3rd.

J Med Chem. 2004 Jan 1;47(1):56-71.

PMID:
14695820
18.

Effective handling of induced-fit motion in flexible docking.

Mizutani MY, Takamatsu Y, Ichinose T, Nakamura K, Itai A.

Proteins. 2006 Jun 1;63(4):878-91.

PMID:
16532451
19.

Virtual screening for kinase targets.

Muegge I, Enyedy IJ.

Curr Med Chem. 2004 Mar;11(6):693-707. Review.

PMID:
15032724
20.

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