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Items: 1 to 20 of 195

1.

Multiple active site corrections for docking and virtual screening.

Vigers GP, Rizzi JP.

J Med Chem. 2004 Jan 1;47(1):80-9.

PMID:
14695822
2.

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
3.

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
4.

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

Doman TN, McGovern SL, Witherbee BJ, Kasten TP, Kurumbail R, Stallings WC, Connolly DT, Shoichet BK.

J Med Chem. 2002 May 23;45(11):2213-21.

PMID:
12014959
5.

Fragment-based lead discovery using X-ray crystallography.

Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H.

J Med Chem. 2005 Jan 27;48(2):403-13.

PMID:
15658854
6.

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
7.

Critical assessment of the automated AutoDock as a new docking tool for virtual screening.

Park H, Lee J, Lee S.

Proteins. 2006 Nov 15;65(3):549-54.

PMID:
16988956
8.

A critical assessment of docking programs and scoring functions.

Warren GL, Andrews CW, Capelli AM, Clarke B, LaLonde J, Lambert MH, Lindvall M, Nevins N, Semus SF, Senger S, Tedesco G, Wall ID, Woolven JM, Peishoff CE, Head MS.

J Med Chem. 2006 Oct 5;49(20):5912-31.

PMID:
17004707
10.

Evaluation of docking performance: comparative data on docking algorithms.

Kontoyianni M, McClellan LM, Sokol GS.

J Med Chem. 2004 Jan 29;47(3):558-65.

PMID:
14736237
11.

Comparison of shape-matching and docking as virtual screening tools.

Hawkins PC, Skillman AG, Nicholls A.

J Med Chem. 2007 Jan 11;50(1):74-82.

PMID:
17201411
12.

Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.

Erickson JA, Jalaie M, Robertson DH, Lewis RA, Vieth M.

J Med Chem. 2004 Jan 1;47(1):45-55.

PMID:
14695819
13.
14.

Similarity-driven flexible ligand docking.

Fradera X, Knegtel RM, Mestres J.

Proteins. 2000 Sep 1;40(4):623-36.

PMID:
10899786
15.

GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.

Li H, Li C, Gui C, Luo X, Chen K, Shen J, Wang X, Jiang H.

Bioorg Med Chem Lett. 2004 Sep 20;14(18):4671-6.

PMID:
15324886
16.
17.

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
18.

Multiple target screening method for robust and accurate in silico ligand screening.

Fukunishi Y, Mikami Y, Kubota S, Nakamura H.

J Mol Graph Model. 2006 Sep;25(1):61-70. Epub 2005 Dec 22.

PMID:
16376595
19.

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking.

Kramer B, Rarey M, Lengauer T.

Proteins. 1999 Nov 1;37(2):228-41.

PMID:
10584068
20.

A model binding site for testing scoring functions in molecular docking.

Wei BQ, Baase WA, Weaver LH, Matthews BW, Shoichet BK.

J Mol Biol. 2002 Sep 13;322(2):339-55.

PMID:
12217695

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