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Development of an Empirical Force Field for Silica. Application to the Quartz−Water Interface

The journal of physical chemistry. B, 2006-02, Vol.110 (6), p.2782-2792

2006

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A Statistical Association for Toxicity of Individual Perfluorinated {n}-Alkyl Acid Components in Co-Exposures to Multiple PFAS

Environmental health perspectives. Supplements, 2023-09, Vol.2023 (1)

Demchuk, Eugene

2023

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Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules

Journal of computational chemistry, 2007-02, Vol.28 (3), p.655-668

2007

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Impact of Silanol Surface Density on the Toxicity of Silica Aerosols Measured by Erythrocyte Haemolysis

Journal of occupational and environmental hygiene, 2006-12, Vol.3 (12), p.718-723

2006

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A Comparative Study of Unrelaxed Surfaces on Quartz and Kaolinite, Using the Periodic Density Functional Theory

The journal of physical chemistry. B, 2005-06, Vol.109 (21), p.10835-10841

2005

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Structure−Activity Models for Contact Sensitization

Chemical research in toxicology, 2005-06, Vol.18 (6), p.954-969

2005

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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

Molecules (Basel, Switzerland), 2012-03, Vol.17 (3), p.3407-3460

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

Molecules (Basel, Switzerland), 2012-03, Vol.17 (3), p.3383-3406

2012

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Application of Meta-Analysis to Derivation of Points-of-Departure for Short-Term Inhalation Exposure Levels of Hazardous Chemicals

Environmental health perspectives. Supplements, 2021-08, Vol.2021 (1)

2021

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QSAR Study of Skin Sensitization Using Local Lymph Node Assay Data

International journal of molecular sciences, 2004-02, Vol.5 (2), p.56-66

2004

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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

Journal of the Royal Society interface, 2008-07, Vol.5 (24), p.749-758

2008

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Protonation States and pH Titration in the Photocycle of Photoactive Yellow Protein

Biochemistry (Easton), 2000-02, Vol.39 (5), p.1100-1113

2000

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Meta-analysis of animal studies applied to short-term inhalation exposure levels of hazardous chemicals

Regulatory toxicology and pharmacology, 2020-08, Vol.115 (C), p.104682-104682, Article 104682

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

Inhalation toxicology, 2018-10, Vol.30 (11-12), p.448-462

2018

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SAR/QSAR methods in public health practice

Toxicology and applied pharmacology, 2011-07, Vol.254 (2), p.192-197

2011

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Miscellanea. Probabilistic model for two dependent circular variables

Biometrika, 2002, Vol.89 (3), p.719-723

2002

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Probabilistic model for two dependent circular variables

Biometrika, 2002-08, Vol.89 (3), p.719-723

2002

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Surface sites and unrelaxed surface energies of tetrahedral silica polymorphs and silicate

Surface science, 2005-12, Vol.595 (1), p.6-19

2005

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Estimation of the entropy of a multivariate normal distribution

Journal of multivariate analysis, 2005-02, Vol.92 (2), p.324-342

2005

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Nearest Neighbor Estimates of Entropy

American journal of mathematical and management sciences, 2003-02, Vol.23 (3-4), p.301-321

2003

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Improving the Continuum Dielectric Approach to Calculating pKas of Ionizable Groups in Proteins

Journal of physical chemistry (1952), 1996-10, Vol.100 (43), p.17373-17387

1996

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Reconstruction of the (011) surface on α-quartz: A semiclassical Ab initio molecular dynamics study

International journal of quantum chemistry, 2009, Vol.109 (1), p.50-64

2009

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Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

Journal of computational chemistry, 2005-05, Vol.26 (7), p.651-660

2005

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Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations

Journal of computational chemistry, 2003-07, Vol.24 (10), p.1172-1183

2003

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A Statistical Model for Assessing Genetic Susceptibility as a Risk Factor in Multifactorial Diseases: Lessons from Occupational Asthma

Environmental health perspectives, 2007-02, Vol.115 (2), p.231-234

2007

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Development of an Empirical Force Field for Silica. Application to the Quartz−Water Interface

A Statistical Association for Toxicity of Individual Perfluorinated {n}-Alkyl Acid Components in Co-Exposures to Multiple PFAS

Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules

Impact of Silanol Surface Density on the Toxicity of Silica Aerosols Measured by Erythrocyte Haemolysis

A Comparative Study of Unrelaxed Surfaces on Quartz and Kaolinite, Using the Periodic Density Functional Theory

Structure−Activity Models for Contact Sensitization

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

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

Application of Meta-Analysis to Derivation of Points-of-Departure for Short-Term Inhalation Exposure Levels of Hazardous Chemicals

QSAR Study of Skin Sensitization Using Local Lymph Node Assay Data

Impact of negatively charged patches on the surface of MHC class II antigen-presenting proteins on risk of chronic beryllium disease

Protonation States and pH Titration in the Photocycle of Photoactive Yellow Protein

Meta-analysis of animal studies applied to short-term inhalation exposure levels of hazardous chemicals

Concentration-time extrapolation of short-term inhalation exposure levels: dimethyl sulfide, a case study using a chemical-specific toxic load exponent

SAR/QSAR methods in public health practice

Miscellanea. Probabilistic model for two dependent circular variables

Probabilistic model for two dependent circular variables

Surface sites and unrelaxed surface energies of tetrahedral silica polymorphs and silicate

Estimation of the entropy of a multivariate normal distribution

Nearest Neighbor Estimates of Entropy

Improving the Continuum Dielectric Approach to Calculating pKas of Ionizable Groups in Proteins

Reconstruction of the (011) surface on α-quartz: A semiclassical Ab initio molecular dynamics study

Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations

A Statistical Model for Assessing Genetic Susceptibility as a Risk Factor in Multifactorial Diseases: Lessons from Occupational Asthma

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