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Items: 7

1.

Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening.

Cavasotto CN, Orry AJ, Murgolo NJ, Czarniecki MF, Kocsi SA, Hawes BE, O'Neill KA, Hine H, Burton MS, Voigt JH, Abagyan RA, Bayne ML, Monsma FJ Jr.

J Med Chem. 2008 Feb 14;51(3):581-8. doi: 10.1021/jm070759m. Epub 2008 Jan 17.

PMID:
18198821
2.

Structure-based development of target-specific compound libraries.

Orry AJ, Abagyan RA, Cavasotto CN.

Drug Discov Today. 2006 Mar;11(5-6):261-6. Review.

PMID:
16580603
3.

In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells.

Cavasotto CN, Ortiz MA, Abagyan RA, Piedrafita FJ.

Bioorg Med Chem Lett. 2006 Apr 1;16(7):1969-74. Epub 2006 Jan 18.

PMID:
16413185
4.

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
5.

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
6.
7.

Identification of ligands for RNA targets via structure-based virtual screening: HIV-1 TAR.

Filikov AV, Mohan V, Vickers TA, Griffey RH, Cook PD, Abagyan RA, James TL.

J Comput Aided Mol Des. 2000 Aug;14(6):593-610.

PMID:
10921774

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