MolTech Ltd: Publications

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

Fedor N. Novikov, Viktor S. Stroylov, Alexey A. Zeifman, Oleg V. Stroganov, Val Kulkov, Ghermes G. Chilov.

J Comput Aided Mol Des. 2012 Jun;26(6):725-35. Epub 2012 May 9.

PubMed: 22569592

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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.

J Mol Model. 2012 Jun;18(6):2553-66. Epub 2011 Nov 9.

PubMed: 22069029

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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.

Proteins. 2011 Sep;79(9):2693-2710.

PubMed: 21769942

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

Novikov F, Zeifman A, Stroganov O, Stroylov V, Kulkov V, Chilov G.

J Chem Inf Model. 2011 Sep 26;51(9):2090-2096. Epub 2011 Jun 3.

PubMed: 21612285

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Improving performance of docking-based virtual screening by structural filtration

Novikov FN, Stroylov VS, Stroganov OV, Chilov GG.

J Mol Model. 2010 Jul;16(7):1223-30. Epub 2009 Dec 30.

PubMed: 20041273

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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.

J Mol Model. 2009 Nov;15(11):1337-47. Epub 2009 Apr 16.

PubMed: 19370366

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Novel antitumor L-arabinose derivative of indolocarbazole with high affinity to DNA

Kaluzhny DN, Tatarskiy VV Jr, Dezhenkova LG, Plikhtyak IL, Miniker TD, Shchyolkina AK, Strel'tsov SA, Chilov GG, Novikov FN, Kubasova IY, Smirnova ZS, Mel'nik SY, Livshits MA, Borisova OF, Shtil AA.

ChemMedChem. 2009 Oct;4(10):1641-8.

PubMed: 19672918

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Molecular docking: theoretical background, practical applications and perspectives

Novikov FN, Chilov GG.

Mendeleev Communications. 2009 19(5):237-42.

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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.

J Chem Inf Model. 2008 Dec;48(12):2371-85.

PubMed: 19007114

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