Jerzy Leszczynski to Models, Theoretical
This is a "connection" page, showing publications Jerzy Leszczynski has written about Models, Theoretical.
Connection Strength
6.743
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Sizochenko N, Syzochenko M, Fjodorova N, Rasulev B, Leszczynski J. Evaluating genotoxicity of metal oxide nanoparticles: Application of advanced supervised and unsupervised machine learning techniques. Ecotoxicol Environ Saf. 2019 Dec 15; 185:109733.
Score: 0.637
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Toropov AA, Toropova AP, Leszczynska D, Leszczynski J. "Ideal correlations" for biological activity of peptides. Biosystems. 2019 Jul; 181:51-57.
Score: 0.619
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Toropova AP, Toropov AA, Veselinovic AM, Veselinovic JB, Leszczynska D, Leszczynski J. Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential. Mol Cell Biochem. 2019 Feb; 452(1-2):133-140.
Score: 0.588
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Gooch A, Sizochenko N, Rasulev B, Gorb L, Leszczynski J. In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study. Environ Toxicol Chem. 2017 08; 36(8):2227-2233.
Score: 0.535
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Toropova AP, Toropov AA, Veselinovic AM, Veselinovic JB, Benfenati E, Leszczynska D, Leszczynski J. Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions. Ecotoxicol Environ Saf. 2016 Feb; 124:32-36.
Score: 0.484
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Toropova AP, Toropov AA, Benfenati E, Korenstein R, Leszczynska D, Leszczynski J. Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides. Environ Sci Pollut Res Int. 2015 Jan; 22(1):745-57.
Score: 0.450
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Toropova AP, Toropov AA, Benfenati E, Puzyn T, Leszczynska D, Leszczynski J. Optimal descriptor as a translator of eclectic information into the prediction of membrane damage: the case of a group of ZnO and TiO2 nanoparticles. Ecotoxicol Environ Saf. 2014 Oct; 108:203-9.
Score: 0.446
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Wang J, Gu J, Leszczynski J. Theoretical modeling study for the phosphonylation mechanisms of the catalytic triad of acetylcholinesterase by sarin. J Phys Chem B. 2008 Mar 20; 112(11):3485-94.
Score: 0.286
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Gerega A, Lapinski L, Nowak MJ, Furmanchuk A, Leszczynski J. Systematic effect of benzo-annelation on oxo-hydroxy tautomerism of heterocyclic compounds. Experimental matrix-isolation and theoretical study. J Phys Chem A. 2007 Jun 14; 111(23):4934-43.
Score: 0.270
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Dyguda-Kazimierowicz E, Sokalski WA, Leszczynski J. Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions. J Mol Model. 2007 Jul; 13(6-7):839-49.
Score: 0.268
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Shukla MK, Leszczynski J. Effect of hydration on the lowest singlet PiPi* excited-state geometry of guanine: a theoretical study. J Phys Chem B. 2005 Sep 15; 109(36):17333-9.
Score: 0.241
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Shukla MK, Leszczynski J. Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study. J Phys Chem A. 2005 Sep 01; 109(34):7775-80.
Score: 0.240
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Flood A, Hubbard C, Forde G, Hill G, Gorb L, Leszczynski J. Theoretical Ab initio study of the effects of methylation on the nature of hydrogen bonding in A:T base pair. J Biomol Struct Dyn. 2003 Oct; 21(2):297-302.
Score: 0.210
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Toropova AP, Toropov AA, Leszczynski J, Sizochenko N. Using quasi-SMILES for the predictive modeling of the safety of 574 metal oxide nanoparticles measured in different experimental conditions. Environ Toxicol Pharmacol. 2021 Aug; 86:103665.
Score: 0.178
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Kar S, Roy K, Leszczynski J. Impact of Pharmaceuticals on the Environment: Risk Assessment Using QSAR Modeling Approach. Methods Mol Biol. 2018; 1800:395-443.
Score: 0.141
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Golius A, Gorb L, Michalkova Scott A, Hill FC, Shukla M, Goins AB, Johnson DR, Leszczynski J. Experimental and computational study of membrane affinity for selected energetic compounds. Chemosphere. 2016 Apr; 148:322-7.
Score: 0.123
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Sviatenko LK, Gorb L, Shukla MK, Seiter JM, Leszczynska D, Leszczynski J. Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study. Chemosphere. 2016 Apr; 148:294-9.
Score: 0.123
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Gajewicz A, Cronin MT, Rasulev B, Leszczynski J, Puzyn T. Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across. Nanotechnology. 2015 Jan 09; 26(1):015701.
Score: 0.114
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Toropova AP, Toropov AA, Rallo R, Leszczynska D, Leszczynski J. Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions. Ecotoxicol Environ Saf. 2015 Feb; 112:39-45.
Score: 0.113
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Szyperska A, Gajewicz A, Mazurkiewicz K, Leszczynski J, Rak J. Theoretical studies on interactions between low energy electrons and protein-DNA fragments: valence anions of AT-amino acids side chain complexes. Phys Chem Chem Phys. 2011 Nov 21; 13(43):19499-507.
Score: 0.092
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Nguyen VS, Abbott HL, Dawley MM, Orlando TM, Leszczynski J, Nguyen MT. Theoretical study of formamide decomposition pathways. J Phys Chem A. 2011 Feb 10; 115(5):841-51.
Score: 0.087
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Gu J, Wang J, Leszczynski J. Comprehensive analysis of DNA strand breaks at the guanosine site induced by low-energy electron attachment. Chemphyschem. 2010 Jan 18; 11(1):175-81.
Score: 0.081
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Toropov AA, Toropova AP, Benfenati E, Leszczynska D, Leszczynski J. InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance. Eur J Med Chem. 2010 Apr; 45(4):1387-94.
Score: 0.081
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Brudnik K, W?jcik-Pastuszka D, Jodkowski JT, Leszczynski J. Theoretical study of the kinetics and mechanism of the decomposition of trifluoromethanol, trichloromethanol, and tribromomethanol in the gas phase. J Mol Model. 2008 Dec; 14(12):1159-72.
Score: 0.075
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Qasim M, Kholod Y, Gorb L, Magers D, Honea P, Leszczynski J. Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species. Chemosphere. 2007 Oct; 69(7):1144-50.
Score: 0.068
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Wang J, Gu J, Leszczynski J. Hydrogen-bonding interactions in the binding of loop 1 of fasciculin 2 to Torpedo californica acetylcholinesterase: a density functional theory study. J Phys Chem B. 2005 Jul 21; 109(28):13761-9.
Score: 0.060
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Grabowski SJ, Sokalski WA, Leszczynski J. How short can the H...H intermolecular contact be? New findings that reveal the covalent nature of extremely strong interactions. J Phys Chem A. 2005 May 19; 109(19):4331-41.
Score: 0.059
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Nguyen VS, Swinnen S, Leszczynski J, Nguyen MT. Hydrazine bisalane is a potential compound for chemical hydrogen storage. A theoretical study. Dalton Trans. 2011 Sep 14; 40(34):8540-8.
Score: 0.023
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Sponer JE, V?zquez-Mayagoitia A, Sumpter BG, Leszczynski J, Sponer J, Otyepka M, Ban?s P, Fuentes-Cabrera M. Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues. Chemistry. 2010 Mar 08; 16(10):3057-65.
Score: 0.021
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Wang J, Gu J, Leszczynski J, Feliks M, Sokalski WA. Oxime-induced reactivation of sarin-inhibited AChE: a theoretical mechanisms study. J Phys Chem B. 2007 Mar 08; 111(9):2404-8.
Score: 0.017
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Qasim M, Fredrickson H, Honea P, Furey J, Leszczynski J, Okovytyy S, Szecsody J, Kholod Y. Prediction of CL-20 chemical degradation pathways, theoretical and experimental evidence for dependence on competing modes of reaction. SAR QSAR Environ Res. 2005 Oct; 16(5):495-515.
Score: 0.015