Abagyan R - Search Results

1

Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.

Kufareva I, Bestgen B, Brear P, Prudent R, Laudet B, Moucadel V, Ettaoussi M, Sautel CF, Krimm I, Engel M, Filhol O, Borgne ML, Lomberget T, Cochet C, Abagyan R. Kufareva I, et al. Among authors: abagyan r. Sci Rep. 2019 Nov 4;9(1):15893. doi: 10.1038/s41598-019-52141-5. Sci Rep. 2019. PMID: 31685885 Free PMC article.

2

PIER: protein interface recognition for structural proteomics.

Kufareva I, Budagyan L, Raush E, Totrov M, Abagyan R. Kufareva I, et al. Among authors: abagyan r. Proteins. 2007 May 1;67(2):400-17. doi: 10.1002/prot.21233. Proteins. 2007. PMID: 17299750

3

3-Hydroxyanthranilic acid inhibits PDK1 activation and suppresses experimental asthma by inducing T cell apoptosis.

Hayashi T, Mo JH, Gong X, Rossetto C, Jang A, Beck L, Elliott GI, Kufareva I, Abagyan R, Broide DH, Lee J, Raz E. Hayashi T, et al. Among authors: abagyan r. Proc Natl Acad Sci U S A. 2007 Nov 20;104(47):18619-24. doi: 10.1073/pnas.0709261104. Epub 2007 Nov 14. Proc Natl Acad Sci U S A. 2007. PMID: 18003900 Free PMC article.

4

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).

Bottegoni G, Kufareva I, Totrov M, Abagyan R. Bottegoni G, et al. Among authors: abagyan r. J Comput Aided Mol Des. 2008 May;22(5):311-25. doi: 10.1007/s10822-008-9188-5. Epub 2008 Feb 14. J Comput Aided Mol Des. 2008. PMID: 18273556 Free PMC article.

5

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. Lee HS, et al. Among authors: abagyan r. J Chem Inf Model. 2008 Mar;48(3):489-97. doi: 10.1021/ci700376c. Epub 2008 Feb 27. J Chem Inf Model. 2008. PMID: 18302357

6

Type-II kinase inhibitor docking, screening, and profiling using modified structures of active kinase states.

Kufareva I, Abagyan R. Kufareva I, et al. Among authors: abagyan r. J Med Chem. 2008 Dec 25;51(24):7921-32. doi: 10.1021/jm8010299. J Med Chem. 2008. PMID: 19053777 Free PMC article.

7

Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking.

Bottegoni G, Kufareva I, Totrov M, Abagyan R. Bottegoni G, et al. Among authors: abagyan r. J Med Chem. 2009 Jan 22;52(2):397-406. doi: 10.1021/jm8009958. J Med Chem. 2009. PMID: 19090659 Free PMC article.

8

The flexible pocketome engine for structural chemogenomics.

Abagyan R, Kufareva I. Abagyan R, et al. Methods Mol Biol. 2009;575:249-79. doi: 10.1007/978-1-60761-274-2_11. Methods Mol Biol. 2009. PMID: 19727619 Free PMC article.

9

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

Katritch V, Jaakola VP, Lane JR, Lin J, Ijzerman AP, Yeager M, Kufareva I, Stevens RC, Abagyan R. Katritch V, et al. Among authors: abagyan r. J Med Chem. 2010 Feb 25;53(4):1799-809. doi: 10.1021/jm901647p. J Med Chem. 2010. PMID: 20095623 Free PMC article.

10

Spatial chemical distance based on atomic property fields.

Grigoryan AV, Kufareva I, Totrov M, Abagyan RA. Grigoryan AV, et al. Among authors: abagyan ra. J Comput Aided Mol Des. 2010 Mar;24(3):173-82. doi: 10.1007/s10822-009-9316-x. Epub 2010 Mar 13. J Comput Aided Mol Des. 2010. PMID: 20229197 Free PMC article.

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