Jerzy Leszczynski to Humans
This is a "connection" page, showing publications Jerzy Leszczynski has written about Humans.
Connection Strength
1.197
-
Samanta PN, Majumdar D, Leszczynski J. Elucidating Atomistic Insight into the Dynamical Responses of the SARS-CoV-2 Main Protease for the Binding of Remdesivir Analogues: Leveraging Molecular Mechanics To Decode the Inhibition Mechanism. J Chem Inf Model. 2023 06 12; 63(11):3404-3422.
Score: 0.045
-
Kumar V, Kar S, De P, Roy K, Leszczynski J. Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study. SAR QSAR Environ Res. 2022 May; 33(5):357-386.
Score: 0.041
-
Kar S, Roy K, Leszczynski J. In Silico Tools and Software to Predict ADMET of New Drug Candidates. Methods Mol Biol. 2022; 2425:85-115.
Score: 0.041
-
Toropova AP, Toropov AA, Leszczynska D, Leszczynski J. Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549?cells. Comput Biol Med. 2021 09; 136:104720.
Score: 0.039
-
Toropov AA, Toropova AP, Veselinovic AM, Leszczynska D, Leszczynski J. SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model. J Biomol Struct Dyn. 2022 02; 40(2):780-786.
Score: 0.037
-
Ojha PK, Kar S, Krishna JG, Roy K, Leszczynski J. Therapeutics for COVID-19: from computation to practices-where we are, where we are heading to. Mol Divers. 2021 Feb; 25(1):625-659.
Score: 0.037
-
Kar S, Leszczynski J. Open access in silico tools to predict the ADMET profiling of drug candidates. Expert Opin Drug Discov. 2020 12; 15(12):1473-1487.
Score: 0.037
-
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: 0.035
-
Toropov AA, Toropova AP, Leszczynska D, Leszczynski J. "Ideal correlations" for biological activity of peptides. Biosystems. 2019 Jul; 181:51-57.
Score: 0.034
-
Toropova AP, Toropov AA, Benfenati E, Leszczynska D, Leszczynski J. Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique. Anticancer Agents Med Chem. 2019; 19(2):148-153.
Score: 0.033
-
Khan K, Kar S, Sanderson H, Roy K, Leszczynski J. Ecotoxicological Modeling, Ranking and Prioritization of Pharmaceuticals Using QSTR and i-QSTTR Approaches: Application of 2D and Fragment Based Descriptors. Mol Inform. 2019 08; 38(8-9):e1800078.
Score: 0.033
-
Jean J, Kar S, Leszczynski J. QSAR modeling of adipose/blood partition coefficients of Alcohols, PCBs, PBDEs, PCDDs and PAHs: A data gap filling approach. Environ Int. 2018 12; 121(Pt 2):1193-1203.
Score: 0.033
-
Ojha PK, Kar S, Roy K, Leszczynski J. Toward comprehension of multiple human cells uptake of engineered nano metal oxides: quantitative inter cell line uptake specificity (QICLUS) modeling. Nanotoxicology. 2019 02; 13(1):14-34.
Score: 0.033
-
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: 0.032
-
Kar S, Ghosh S, Leszczynski J. Single or mixture halogenated chemicals? Risk assessment and developmental toxicity prediction on zebrafish embryos based on weighted descriptors approach. Chemosphere. 2018 Nov; 210:588-596.
Score: 0.032
-
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: 0.031
-
Kar S, Sep?lveda MS, Roy K, Leszczynski J. Endocrine-disrupting activity of per- and polyfluoroalkyl substances: Exploring combined approaches of ligand and structure based modeling. Chemosphere. 2017 Oct; 184:514-523.
Score: 0.030
-
Gooch A, Sizochenko N, Sviatenko L, Gorb L, Leszczynski J. A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds. SAR QSAR Environ Res. 2017 Feb; 28(2):133-150.
Score: 0.029
-
Kar S, Leszczynski J. Recent Advances of Computational Modeling for Predicting Drug Metabolism: A Perspective. Curr Drug Metab. 2017; 18(12):1106-1122.
Score: 0.029
-
Karabulut S, Sizochenko N, Orhan A, Leszczynski J. A DFT-based QSAR study on inhibition of human dihydrofolate reductase. J Mol Graph Model. 2016 11; 70:23-29.
Score: 0.028
-
Antypenko O, Kovalenko S, Rasulev B, Leszczynski J. Synthesis of 6-N-R-Tetrazolo[1,5-c]quinazolin-5(6H)-ones and Their Anticancer Activity. Acta Chim Slov. 2016; 63(3):638-45.
Score: 0.027
-
Sizochenko N, Rasulev B, Gajewicz A, Kuz'min V, Puzyn T, Leszczynski J. From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles. Nanoscale. 2014 Nov 21; 6(22):13986-93.
Score: 0.025
-
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: 0.024
-
Gajewicz A, Schaeublin N, Rasulev B, Hussain S, Leszczynska D, Puzyn T, Leszczynski J. Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: hints from nano-QSAR studies. Nanotoxicology. 2015 May; 9(3):313-25.
Score: 0.024
-
Karabulut S, Paytakov G, Leszczynski J. Reduction of aflatoxin B1 to aflatoxicol: a comprehensive DFT study provides clues to its toxicity. J Sci Food Agric. 2014 Dec; 94(15):3134-40.
Score: 0.024
-
Turabekova M, Rasulev B, Theodore M, Jackman J, Leszczynska D, Leszczynski J. Immunotoxicity of nanoparticles: a computational study suggests that CNTs and C60 fullerenes might be recognized as pathogens by Toll-like receptors. Nanoscale. 2014 Apr 07; 6(7):3488-95.
Score: 0.024
-
Toropov AA, Toropova AP, Raska I, Leszczynska D, Leszczynski J. Comprehension of drug toxicity: software and databases. Comput Biol Med. 2014 Feb; 45:20-5.
Score: 0.023
-
Ahmed L, Rasulev B, Turabekova M, Leszczynska D, Leszczynski J. Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations. Org Biomol Chem. 2013 Sep 21; 11(35):5798-808.
Score: 0.023
-
Lv W, Chen Y, Li D, Chen X, Leszczynski J. Methyl-triclosan binding to human serum albumin: multi-spectroscopic study and visualized molecular simulation. Chemosphere. 2013 Oct; 93(6):1125-30.
Score: 0.023
-
Toropov AA, Toropova AP, Puzyn T, Benfenati E, Gini G, Leszczynska D, Leszczynski J. QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells. Chemosphere. 2013 Jun; 92(1):31-7.
Score: 0.022
-
Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J. Calculation of molecular features with apparent impact on both activity of mutagens and activity of anticancer agents. Anticancer Agents Med Chem. 2012 Sep; 12(7):807-17.
Score: 0.021
-
Toropov AA, Toropova AP, Rasulev BF, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: binary classifications (active/inactive) for Liver-Related Adverse Effects of Drugs. Curr Drug Saf. 2012 Sep; 7(4):257-61.
Score: 0.021
-
Gajewicz A, Rasulev B, Dinadayalane TC, Urbaszek P, Puzyn T, Leszczynska D, Leszczynski J. Advancing risk assessment of engineered nanomaterials: application of computational approaches. Adv Drug Deliv Rev. 2012 Dec; 64(15):1663-93.
Score: 0.021
-
Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: classification model for predictions of anti-sarcoma activity. Curr Top Med Chem. 2012; 12(24):2741-4.
Score: 0.020
-
Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J. SMILES-based QSAR approaches for carcinogenicity and anticancer activity: comparison of correlation weights for identical SMILES attributes. Anticancer Agents Med Chem. 2011 Dec; 11(10):974-82.
Score: 0.020
-
Ford-Green J, Isayev O, Gorb L, Perkins EJ, Leszczynski J. Evaluation of natural and nitramine binding energies to 3-D models of the S1S2 domains in the N-methyl-D-aspartate receptor. J Mol Model. 2012 Apr; 18(4):1273-84.
Score: 0.020
-
Quan Z, Purser C, Baker RC, Dwyer T, Bhagat R, Sheng Y, Leszczynski JR. Determination of derivatized urea in exhaled breath condensate by LC-MS. J Chromatogr Sci. 2010 Feb; 48(2):140-4.
Score: 0.018
-
Toropov AA, Toropova AP, Benfenati E, Leszczynska D, Leszczynski J. SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J Comput Chem. 2010 Jan 30; 31(2):381-92.
Score: 0.018
-
Puzyn T, Leszczynska D, Leszczynski J. Toward the development of "nano-QSARs": advances and challenges. Small. 2009 Nov; 5(22):2494-509.
Score: 0.017
-
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: 0.011
-
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: 0.010
-
Kapusta K, Kar S, Collins JT, Franklin LM, Kolodziejczyk W, Leszczynski J, Hill GA. Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (Mpro) through docking, molecular mechanic & dynamic, and ADMET profiling. J Biomol Struct Dyn. 2021 10; 39(17):6810-6827.
Score: 0.009
-
Kapusta K, Sizochenko N, Anderson ML, Kolodziejczyk W, Voronkov EO, Saloni J, Leszczynski J, Hill GA. 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.
Score: 0.009
-
Golbamaki A, Golbamaki N, Sizochenko N, Rasulev B, Leszczynski J, Benfenati E. Genotoxicity induced by metal oxide nanoparticles: a weight of evidence study and effect of particle surface and electronic properties. Nanotoxicology. 2018 12; 12(10):1113-1129.
Score: 0.008
-
Ba?ares MA, Haase A, Tran L, Lobaskin V, Oberd?rster G, Rallo R, Leszczynski J, Hoet P, Korenstein R, Hardy B, Puzyn T. CompNanoTox2015: novel perspectives from a European conference on computational nanotoxicology on predictive nanotoxicology. Nanotoxicology. 2017 Sep; 11(7):839-845.
Score: 0.008
-
Kar S, Gajewicz A, Roy K, Leszczynski J, Puzyn T. Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR. Ecotoxicol Environ Saf. 2016 Apr; 126:238-244.
Score: 0.007
-
Golbamaki N, Rasulev B, Cassano A, Marchese Robinson RL, Benfenati E, Leszczynski J, Cronin MT. Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms. Nanoscale. 2015 Feb 14; 7(6):2154-98.
Score: 0.006
-
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: 0.006
-
He X, Aker WG, Leszczynski J, Hwang HM. Using a holistic approach to assess the impact of engineered nanomaterials inducing toxicity in aquatic systems. J Food Drug Anal. 2014 Mar; 22(1):128-146.
Score: 0.006
-
Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J, De Nucci G. QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea. Biochem Biophys Res Commun. 2013 Mar 08; 432(2):214-25.
Score: 0.005
-
Wang S, Sheng Y, Feng M, Leszczynski J, Wang L, Tachikawa H, Yu H. Light-induced cytotoxicity of 16 polycyclic aromatic hydrocarbons on the US EPA priority pollutant list in human skin HaCaT keratinocytes: relationship between phototoxicity and excited state properties. Environ Toxicol. 2007 Jun; 22(3):318-27.
Score: 0.004
-
Sponer JE, Leszczynski J, Sponer J. Mechanism of action of anticancer titanocene derivatives: an insight from quantum chemical calculations. J Phys Chem B. 2006 Oct 05; 110(39):19632-6.
Score: 0.004
-
Tchounwou PB, Newsome C, Glass K, Centeno JA, Leszczynski J, Bryant J, Okoh J, Ishaque A, Brower M. Environmental toxicology and health effects associated with dinitrotoluene exposure. Rev Environ Health. 2003 Jul-Sep; 18(3):203-29.
Score: 0.003