Chilov GG - Search Results

1

Improving performance of docking-based virtual screening by structural filtration.

Novikov FN, Stroylov VS, Stroganov OV, Chilov GG. Novikov FN, et al. Among authors: chilov gg. J Mol Model. 2010 Jul;16(7):1223-30. doi: 10.1007/s00894-009-0633-8. Epub 2009 Dec 30. J Mol Model. 2010. PMID: 20041273

2

Quantum chemical studies of the catalytic mechanism of N-terminal nucleophile hydrolase.

Chilov GG, Sidorova AV, Svedas VK. Chilov GG, et al. Biochemistry (Mosc). 2007 May;72(5):495-500. doi: 10.1134/s0006297907050057. Biochemistry (Mosc). 2007. PMID: 17573703

3

Molecular modeling studies of substrate binding by penicillin acylase.

Chilov GG, Stroganov OV, Svedas VK. Chilov GG, et al. Biochemistry (Mosc). 2008 Jan;73(1):56-64. doi: 10.1134/s0006297908010082. Biochemistry (Mosc). 2008. PMID: 18294130

4

Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.

Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG. Stroganov OV, et al. Among authors: chilov gg. J Chem Inf Model. 2008 Dec;48(12):2371-85. doi: 10.1021/ci800166p. J Chem Inf Model. 2008. PMID: 19007114

5

Developing novel approaches to improve binding energy estimation and virtual screening: a PARP case study.

Novikov FN, Stroylov VS, Stroganov OV, Kulkov V, Chilov GG. Novikov FN, et al. Among authors: chilov gg. J Mol Model. 2009 Nov;15(11):1337-47. doi: 10.1007/s00894-009-0497-y. Epub 2009 Apr 16. J Mol Model. 2009. PMID: 19370366

6

CSAR scoring challenge reveals the need for new concepts in estimating protein-ligand binding affinity.

Novikov FN, Zeifman AA, Stroganov OV, Stroylov VS, Kulkov V, Chilov GG. Novikov FN, et al. Among authors: chilov gg. J Chem Inf Model. 2011 Sep 26;51(9):2090-6. doi: 10.1021/ci200034y. Epub 2011 Jun 3. J Chem Inf Model. 2011. PMID: 21612285

7

TSAR, a new graph-theoretical approach to computational modeling of protein side-chain flexibility: modeling of ionization properties of proteins.

Stroganov OV, Novikov FN, Zeifman AA, Stroylov VS, Chilov GG. Stroganov OV, et al. Among authors: chilov gg. Proteins. 2011 Sep;79(9):2693-710. doi: 10.1002/prot.23099. Epub 2011 Jul 18. Proteins. 2011. PMID: 21769942

8

Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies.

Zeifman AA, Stroylov VS, Novikov FN, Stroganov OV, Zakharenko AL, Khodyreva SN, Lavrik OI, Chilov GG. Zeifman AA, et al. Among authors: chilov gg. J Mol Model. 2012 Jun;18(6):2553-66. doi: 10.1007/s00894-011-1280-4. Epub 2011 Nov 9. J Mol Model. 2012. PMID: 22069029

9

Lead Finder docking and virtual screening evaluation with Astex and DUD test sets.

Novikov FN, Stroylov VS, Zeifman AA, Stroganov OV, Kulkov V, Chilov GG. Novikov FN, et al. Among authors: chilov gg. J Comput Aided Mol Des. 2012 Jun;26(6):725-35. doi: 10.1007/s10822-012-9549-y. Epub 2012 May 9. J Comput Aided Mol Des. 2012. PMID: 22569592

10

Novel curcumin derivatives as P-glycoprotein inhibitors: Molecular modeling, synthesis and sensitization of multidrug resistant cells to doxorubicin.

Sagnou M, Novikov FN, Ivanova ES, Alexiou P, Stroylov VS, Titov IY, Tatarskiy VV, Vagida MS, Pelecanou M, Shtil AA, Chilov GG. Sagnou M, et al. Among authors: chilov gg. Eur J Med Chem. 2020 Jul 15;198:112331. doi: 10.1016/j.ejmech.2020.112331. Epub 2020 May 4. Eur J Med Chem. 2020. PMID: 32403017

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