Cherkasov A - Search Results

1

Using molecular docking, 3D-QSAR, and cluster analysis for screening structurally diverse data sets of pharmacological interest.

Santos-Filho OA, Cherkasov A. Santos-Filho OA, et al. Among authors: cherkasov a. J Chem Inf Model. 2008 Oct;48(10):2054-65. doi: 10.1021/ci8001952. Epub 2008 Sep 24. J Chem Inf Model. 2008. PMID: 18816024

2

'Inductive' charges on atoms in proteins: comparative docking with the extended steroid benchmark set and discovery of a novel SHBG ligand.

Cherkasov A, Shi Z, Li Y, Jones SJ, Fallahi M, Hammond GL. Cherkasov A, et al. J Chem Inf Model. 2005 Nov-Dec;45(6):1842-53. doi: 10.1021/ci0498158. J Chem Inf Model. 2005. PMID: 16309292

3

Can 'Bacterial-Metabolite-Likeness' model improve odds of 'in silico' antibiotic discovery?

Cherkasov A. Cherkasov A. J Chem Inf Model. 2006 May-Jun;46(3):1214-22. doi: 10.1021/ci050480j. J Chem Inf Model. 2006. PMID: 16711741

4

Comparative QSAR- and fragments distribution analysis of drugs, druglikes, metabolic substances, and antimicrobial compounds.

Karakoc E, Sahinalp SC, Cherkasov A. Karakoc E, et al. Among authors: cherkasov a. J Chem Inf Model. 2006 Sep-Oct;46(5):2167-82. doi: 10.1021/ci0601517. J Chem Inf Model. 2006. PMID: 16995747

5

Progressive docking: a hybrid QSAR/docking approach for accelerating in silico high throughput screening.

Cherkasov A, Ban F, Li Y, Fallahi M, Hammond GL. Cherkasov A, et al. J Med Chem. 2006 Dec 14;49(25):7466-78. doi: 10.1021/jm060961+. J Med Chem. 2006. PMID: 17149875

6

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.

Zhu H, Tropsha A, Fourches D, Varnek A, Papa E, Gramatica P, Oberg T, Dao P, Cherkasov A, Tetko IV. Zhu H, et al. Among authors: cherkasov a. J Chem Inf Model. 2008 Apr;48(4):766-84. doi: 10.1021/ci700443v. Epub 2008 Mar 1. J Chem Inf Model. 2008. PMID: 18311912 Free article.

7

An updated steroid benchmark set and its application in the discovery of novel nanomolar ligands of sex hormone-binding globulin.

Cherkasov A, Ban F, Santos-Filho O, Thorsteinson N, Fallahi M, Hammond GL. Cherkasov A, et al. J Med Chem. 2008 Apr 10;51(7):2047-56. doi: 10.1021/jm7011485. Epub 2008 Mar 11. J Med Chem. 2008. PMID: 18330978

8

In silico identification of anthropogenic chemicals as ligands of zebrafish sex hormone binding globulin.

Thorsteinson N, Ban F, Santos-Filho O, Tabaei SM, Miguel-Queralt S, Underhill C, Cherkasov A, Hammond GL. Thorsteinson N, et al. Among authors: cherkasov a. Toxicol Appl Pharmacol. 2009 Jan 1;234(1):47-57. doi: 10.1016/j.taap.2008.07.014. Epub 2008 Jul 25. Toxicol Appl Pharmacol. 2009. PMID: 18725242

9

Short linear cationic antimicrobial peptides: screening, optimizing, and prediction.

Hilpert K, Fjell CD, Cherkasov A. Hilpert K, et al. Among authors: cherkasov a. Methods Mol Biol. 2008;494:127-59. doi: 10.1007/978-1-59745-419-3_8. Methods Mol Biol. 2008. PMID: 18726572

10

The receptor-dependent QSAR paradigm: an overview of the current state of the art.

Santos-Filho OA, Hopfinger AJ, Cherkasov A, de Alencastro RB. Santos-Filho OA, et al. Among authors: cherkasov a. Med Chem. 2009 Jul;5(4):359-66. doi: 10.2174/157340609788681458. Med Chem. 2009. PMID: 19689393 Review.

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