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N-arylnaphthylamines as inhibitors of human immunodeficiency virus integrase - lens epithelium-derived growth factor interactions: theoretical studies.
J Biomol Struct Dyn. 2021 Feb;39(3):867-880. doi: 10.1080/07391102.2020.1719203. Epub 2020 Jan 31.
J Biomol Struct Dyn. 2021.
PMID: 31965914
QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors.
Kapusta K, Sizochenko N, Karabulut S, Okovytyy S, Voronkov E, Leszczynski J.
Kapusta K, et al.
J Mol Model. 2018 Feb 17;24(3):59. doi: 10.1007/s00894-018-3593-z.
J Mol Model. 2018.
PMID: 29455382
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Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study.
Sergeieva T, Bilichenko M, Holodnyak S, Monaykina YV, Okovytyy SI, Kovalenko SI, Voronkov E, Leszczynski J.
Sergeieva T, et al.
J Phys Chem A. 2016 Dec 29;120(51):10116-10122. doi: 10.1021/acs.jpca.6b08317. Epub 2016 Dec 15.
J Phys Chem A. 2016.
PMID: 27977199
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The performance of the new 6-31G(##) basis set: molecular structures and vibrational frequencies of transition metal carbonyls.
Bolshakov VI, Rossikhin VV, Voronkov EO, Okovytyy SI, Leszczynski J.
Bolshakov VI, et al. Among authors: voronkov eo.
J Comput Chem. 2007 Mar;28(4):778-82. doi: 10.1002/jcc.20596.
J Comput Chem. 2007.
PMID: 17226828
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Correction to "Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study".
Sergeieva T, Bilichenko M, Holodnyak S, Monaykina YV, Okovytyy SI, Kovalenko SI, Voronkov E, Leszczynski J.
Sergeieva T, et al.
J Phys Chem A. 2017 Mar 30;121(12):2544. doi: 10.1021/acs.jpca.7b02670. Epub 2017 Mar 22.
J Phys Chem A. 2017.
PMID: 28326780
No abstract available.
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