Publications by authors named "Eugene Demchuk"

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Investigating the quantitative toxicological relationship between PFAS alkyl fluorine structure and exposure levels leading to changes in blood-based clinical markers in rats.
Andrew J Prussia, Eugene Demchuk

J Toxicol Environ Health A· October 2025

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The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade.
Siddhi Desai, Jewell Wilson, Chao Ji, Jason Sautner, Andrew J Prussia, Eugene Demchuk

Toxics· November 2024

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Meta-analysis of animal studies applied to short-term inhalation exposure levels of hazardous chemicals.
Andrew J Prussia, Joshua Hill, Cheryl R Cornwell, Ram C Siwakoti, Eugene Demchuk

Regul Toxicol Pharmacol· August 2020

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Concentration-time extrapolation of short-term inhalation exposure levels: dimethyl sulfide, a case study using a chemical-specific toxic load exponent.
Eugene Demchuk, Shannon L Ball, San L Le, Andrew J Prussia

Inhal Toxicol· August 2019

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Computational toxicology methods in public health practice.
Eugene Demchuk, Patricia Ruiz, Jewell D Wilson, Franco Scinicariello, Hana R Pohl

Toxicol Mech Methods· October 2012

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Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes.
Brooks McPhail, Yunfeng Tie, Huixiao Hong, Bruce A Pearce, Laura K Schnackenberg, Eugene Demchuk

Molecules· March 2012

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Modeling chemical interaction profiles: II. Molecular docking, spectral data-activity relationship, and structure-activity relationship models for potent and weak inhibitors of cytochrome P450 CYP3A4 isozyme.
Yunfeng Tie, Brooks McPhail, Huixiao Hong, Bruce A Pearce, Laura K Schnackenberg, Eugene Demchuk

Molecules· March 2012

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SAR/QSAR methods in public health practice.
Eugene Demchuk, Patricia Ruiz, Selene Chou, Bruce A Fowler

Toxicol Appl Pharmacol· July 2011

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Impact of negatively charged patches on the surface of MHC class II antigen-presenting proteins on risk of chronic beryllium disease.
James A Snyder, Eugene Demchuk, Erin C McCanlies, Christine R Schuler, Kathleen Kreiss

J R Soc Interface· July 2008

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Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules.
Vladimir Hnizdo, Eva Darian, Adam Fedorowicz, Eugene Demchuk, Shengqiao Li

J Comput Chem· February 2007

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A statistical model for assessing genetic susceptibility as a risk factor in multifactorial diseases: lessons from occupational asthma.
Eugene Demchuk, Berran Yucesoy, Victor J Johnson, Michael Andrew, Ainsley Weston

Environ Health Perspect· February 2007

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Impact of silanol surface density on the toxicity of silica aerosols measured by erythrocyte haemolysis.
Vladimir Murashov, Martin Harper, Eugene Demchuk

J Occup Environ Hyg· December 2006

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Development of an empirical force field for silica. Application to the quartz-water interface.
Pedro E M Lopes, Vladimir Murashov, Mouhsine Tazi, Eugene Demchuk, Alexander D Mackerell

J Phys Chem B· February 2006

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Immunogenetic factors in beryllium sensitization and chronic beryllium disease.
Ainsley Weston, James Snyder, Erin C McCanlies, Christine R Schuler, Michael E Andrew, Eugene Demchuk

Mutat Res· December 2005

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Structure-activity models for contact sensitization.
Adam Fedorowicz, Harshinder Singh, Sidney Soderholm, Eugene Demchuk

Chem Res Toxicol· June 2005

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A comparative study of unrelaxed surfaces on quartz and kaolinite, using the periodic density functional theory.
Vladimir V Murashov, Eugene Demchuk

J Phys Chem B· June 2005

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Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations.
Eva Darian, Vladimir Hnizdo, Adam Fedorowicz, Harshinder Singh, Eugene Demchuk

J Comput Chem· May 2005

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Electrostatic potential on human leukocyte antigen: implications for putative mechanism of chronic beryllium disease.
James A Snyder, Ainsley Weston, Sally S Tinkle, Eugene Demchuk

Environ Health Perspect· November 2003

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Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations.
Vladimir Hnizdo, Adam Fedorowicz, Harshinder Singh, Eugene Demchuk

J Comput Chem· July 2003

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Topographical organization of the N-terminal segment of lung pulmonary surfactant protein B (SP-B(1-25)) in phospholipid bilayers.
Yudong Wang, K Murali K Rao, Eugene Demchuk

Biochemistry· April 2003

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