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Antioxidant activity of lidocaine, bupivacaine, and ropivacaine in aqueous and lipophilic environments: an experimental and computational study

Frontiers in chemistry, 2023-06, Vol.11, p.1208843-1208843

2023

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Can the chemical reactivity of an ultimate carcinogen be related to its carcinogenicity? An application to propylene oxide

Toxicology in vitro, 2013-02, Vol.27 (1), p.479-485

Mavri, Janez

2013

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Temperature Dependence of Water Vibrational Spectrum: A Molecular Dynamics Simulation Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-12, Vol.108 (50), p.11056-11062

2004

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P18 Targeting Lung Cancer Initiating Cells by Aptamers

Journal of thoracic oncology, 2018-09, Vol.13 (9), p.S168-S168

2018

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Chemical Reactivity as a Tool To Study Carcinogenicity: Reaction between Estradiol and Estrone 3,4-Quinones Ultimate Carcinogens and Guanine

Journal of Chemical Information and Computer Sciences, 2004-03, Vol.44 (2), p.310-314

2004

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The Influence of Metal Carbides on the Oxidation Processes of 1-Octene by Molecular Oxygen and tert-Butyl Hydroperoxide

ISRN Physical Chemistry, 2012-01, Vol.2012, p.1-4

2012

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Quantitative cell wall protein profiling of invasive and non-invasive Saccharomyces cerevisiae strains

Journal of microbiological methods, 2009-12, Vol.79 (3), p.260-265

2009

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Molecular dynamics study of the tautomeric equilibrium in the 4-nitro- and 2,4,6-trichloro derivatives of 2-( N , N -dialkyloaminomethyl)phenol

Theoretical chemistry accounts, 2003-05, Vol.109 (4), p.220-228

2003

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Numerical solving of the vibrational time-independent Schrödinger equation in one and two dimensions using the variational method

Computer physics communications, 2002-03, Vol.143 (3), p.222-240

2002

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Proton Potential in Acetylacetone

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-03, Vol.105 (10), p.2039-2044

2001

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Reaction between Ellagic Acid and an Ultimate Carcinogen

Journal of chemical information and modeling, 2005-11, Vol.45 (6), p.1564-1570

2005

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Proton Transfer Dynamics in Acetylacetone: A Mixed Quantum-Classical Simulation of Vibrational Spectra

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-03, Vol.105 (10), p.2045-2051

2001

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Chemical reaction of soybean flavonoids with DNA: a computational study using the implicit solvent model

International journal of molecular sciences, 2012-02, Vol.13 (2), p.1269-1283

2012

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Carcinogenicity of Styrene Oxide: Calculation of Chemical Reactivity

Croatica chemica acta, 2009, Vol.82 (1), p.317-322

2009

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Density Functional Calculation of the 2D Potential Surface and Deuterium Isotope Effect on 13C Chemical Shifts in Picolinic Acid N-Oxide. Comparison with Experiment

Journal of the American Chemical Society, 2004-04, Vol.126 (13), p.4437-4443

2004

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Calculations by the semi-ab initio method SAM1 on some hydrogen-bonded systems

Journal of molecular structure, 1997-10, Vol.416 (1-3), p.261-268

1997

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Influence of Substituents on the Anharmonicity of νs(OH) Vibration in Phenol Derivatives Explored by Experimental and Theoretical Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-03, Vol.109 (10), p.2317-2324

2005

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Hydrogen bonding in complex of serine with histidine: computational and spectroscopic study of model compounds

Chemical physics letters, 2004-12, Vol.400 (1), p.117-121

2004

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Nitroso-naphthol quinone-monooxime tautomeric equilibrium revisited: evidence for oximo group isomerization

Chemical physics, 2002-03, Vol.277 (1), p.71-76

2002

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Molecular Dynamics with Nonadiabatic Transitions: A Comparison of Methods

Molecular simulation, 2000-04, Vol.23 (6), p.389-411

Mavri, Janez

2000

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Phenol forms complexes with tetramethylammonium ions in aqueous solution?

Chemical physics letters, 1999-07, Vol.308 (5), p.421-427

1999

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Irreversible inhibition of the HIV-1 protease: A theoretical study

International journal of quantum chemistry, 1998, Vol.69 (6), p.753-759

Mavri, Janez

1998

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Nmr and molecular dynamics study of four carbocyclic muramyl dipeptide analogues

Biopolymers, 1993-07, Vol.33 (7), p.1149-1157

1993

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Liquid-Crystalline Complexes of Polyurethane Containing an Isonicotinamide Moiety with 4-Dodecyloxybenzoic Acid

Macromolecular chemistry and physics, 2002-01, Vol.203 (2), p.439-447

2002

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The role of hydrogen bonding in drug-receptor interactions

Journal of molecular structure, 1990-09, Vol.237, p.139-150

1990

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Antioxidant activity of lidocaine, bupivacaine, and ropivacaine in aqueous and lipophilic environments: an experimental and computational study

Can the chemical reactivity of an ultimate carcinogen be related to its carcinogenicity? An application to propylene oxide

Temperature Dependence of Water Vibrational Spectrum: A Molecular Dynamics Simulation Study

P18 Targeting Lung Cancer Initiating Cells by Aptamers

Chemical Reactivity as a Tool To Study Carcinogenicity: Reaction between Estradiol and Estrone 3,4-Quinones Ultimate Carcinogens and Guanine

The Influence of Metal Carbides on the Oxidation Processes of 1-Octene by Molecular Oxygen and tert-Butyl Hydroperoxide

Quantitative cell wall protein profiling of invasive and non-invasive Saccharomyces cerevisiae strains

Molecular dynamics study of the tautomeric equilibrium in the 4-nitro- and 2,4,6-trichloro derivatives of 2-( N , N -dialkyloaminomethyl)phenol

Numerical solving of the vibrational time-independent Schrödinger equation in one and two dimensions using the variational method

Proton Potential in Acetylacetone

Reaction between Ellagic Acid and an Ultimate Carcinogen

Proton Transfer Dynamics in Acetylacetone: A Mixed Quantum-Classical Simulation of Vibrational Spectra

Chemical reaction of soybean flavonoids with DNA: a computational study using the implicit solvent model

Carcinogenicity of Styrene Oxide: Calculation of Chemical Reactivity

Density Functional Calculation of the 2D Potential Surface and Deuterium Isotope Effect on 13C Chemical Shifts in Picolinic Acid N-Oxide. Comparison with Experiment

Calculations by the semi-ab initio method SAM1 on some hydrogen-bonded systems

Influence of Substituents on the Anharmonicity of νs(OH) Vibration in Phenol Derivatives Explored by Experimental and Theoretical Approach

Hydrogen bonding in complex of serine with histidine: computational and spectroscopic study of model compounds

Nitroso-naphthol quinone-monooxime tautomeric equilibrium revisited: evidence for oximo group isomerization

Molecular Dynamics with Nonadiabatic Transitions: A Comparison of Methods

Phenol forms complexes with tetramethylammonium ions in aqueous solution?

Irreversible inhibition of the HIV-1 protease: A theoretical study

Nmr and molecular dynamics study of four carbocyclic muramyl dipeptide analogues

Liquid-Crystalline Complexes of Polyurethane Containing an Isonicotinamide Moiety with 4-Dodecyloxybenzoic Acid

The role of hydrogen bonding in drug-receptor interactions

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