Zeifman AA - Search Results

1

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: zeifman aa. Proteins. 2011 Sep;79(9):2693-710. doi: 10.1002/prot.23099. Epub 2011 Jul 18. Proteins. 2011. PMID: 21769942

2

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: zeifman aa. 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

3

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. 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

4

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: zeifman aa. 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

5

Quantifying Possible Routes for SpnF-Catalyzed Formal Diels-Alder Cycloaddition.

Medvedev MG, Zeifman AA, Novikov FN, Bushmarinov IS, Stroganov OV, Titov IY, Chilov GG, Svitanko IV. Medvedev MG, et al. Among authors: zeifman aa. J Am Chem Soc. 2017 Mar 22;139(11):3942-3945. doi: 10.1021/jacs.6b13243. Epub 2017 Mar 7. J Am Chem Soc. 2017. PMID: 28240878

6

Structure-Guided Screening for Functionally Selective D₂ Dopamine Receptor Ligands from a Virtual Chemical Library.

Männel B, Jaiteh M, Zeifman A, Randakova A, Möller D, Hübner H, Gmeiner P, Carlsson J. Männel B, et al. ACS Chem Biol. 2017 Oct 20;12(10):2652-2661. doi: 10.1021/acschembio.7b00493. Epub 2017 Sep 19. ACS Chem Biol. 2017. PMID: 28846380

7

Alchemical FEP Calculations of Ligand Conformer Focusing in Explicit Solvent.

Zeifman AA, Stroylov VV, Novikov FN, Stroganov OV, Kulkov V, Chilov GG. Zeifman AA, et al. J Chem Theory Comput. 2013 Feb 12;9(2):1093-102. doi: 10.1021/ct300796g. Epub 2013 Jan 25. J Chem Theory Comput. 2013. PMID: 26588753

8

2,3-Dihydroxy-quinoxaline induces ATPase activity of Herpes Simplex Virus thymidine kinase.

Zeifman AA, Novikov FN, Stroylov VS, Stroganov OV, Chilov GG, Skoblov AY, Miroshnikov AI, Skoblov YS. Zeifman AA, et al. FEBS Lett. 2014 Jan 31;588(3):509-11. doi: 10.1016/j.febslet.2013.12.017. Epub 2013 Dec 25. FEBS Lett. 2014. PMID: 24374341 Free article.

9

Docking Screens for Dual Inhibitors of Disparate Drug Targets for Parkinson's Disease.

Jaiteh M, Zeifman A, Saarinen M, Svenningsson P, Bréa J, Loza MI, Carlsson J. Jaiteh M, et al. J Med Chem. 2018 Jun 28;61(12):5269-5278. doi: 10.1021/acs.jmedchem.8b00204. Epub 2018 Jun 15. J Med Chem. 2018. PMID: 29792714 Free PMC article.

10

An explicit account of solvation is essential for modeling Suzuki-Miyaura coupling in protic solvents.

Zeifman AA, Novikov FN, Stroylov VS, Stroganov OV, Svitanko IV, Chilov GG. Zeifman AA, et al. Dalton Trans. 2015 Oct 28;44(40):17795-9. doi: 10.1039/c5dt03126e. Epub 2015 Sep 23. Dalton Trans. 2015. PMID: 26399304

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