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A potentiometric and spectrophotometric study on acid–base equilibria in ethanol-aqueous solution of acetazolamide and related compounds

Talanta (Oxford), 1999-07, Vol.49 (4), p.859-868

1999

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The Importance of Keto-Enol Forms of Arylpropanoids Acting as Antifungal Compounds

Molecules (Basel, Switzerland), 2000-03, Vol.5 (3), p.580-582

2000

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A Conformational Study of Flexible Cyclic Compounds (Hydrocarbon Rings of 9-12 Members)

Molecules (Basel, Switzerland), 2000-03, Vol.5 (3), p.585-586

2000

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Analysis of dielectric properties of cytosine in aqueous solution

Journal of molecular liquids, 2001-11, Vol.94 (2), p.87-96

2001

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Syntheses and Antitumor Targeting G1 Phase of the Cell Cycle of Benzoyldihydroisoquinolines and Related 1-Substituted Isoquinolines

Journal of medicinal chemistry, 2002-11, Vol.45 (23), p.5058-5068

2002

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Molecular Interactions Between the Active Sites of RGD (Arg-Gly-Asp) with its Receptor (Integrine)

Molecules (Basel, Switzerland), 2000-03, Vol.5 (3), p.583-584

2000

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Structure–activity relationship study of homoallylamines and related derivatives acting as antifungal agents

Bioorganic & medicinal chemistry, 2006-03, Vol.14 (6), p.1851-1862

2006

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Efficient synthesis and structural analysis of new dioxopiperazine isoquinolines

Tetrahedron, 2006-05, Vol.62 (18), p.4408-4418

2006

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Dynamics of flexible cycloalkanes. Ab initio and DFT study of the conformational energy hypersurface of cyclononane

Journal of computational chemistry, 2006-01, Vol.27 (2), p.188-202

2006

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Dielectric properties of proline: Hydration effect

Journal of molecular liquids, 2006-05, Vol.126 (1), p.43-47

2006

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Partially relaxed ring closure conditions for geometrical algorithm to search the conformational space for minimum energy conformations

Journal of molecular structure. Theochem, 2001-02, Vol.536 (2), p.173-188

2001

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Conformational study of N-alkyl-benzyltetrahydroisoquinolines alkaloid

Journal of molecular structure. Theochem, 2003-12, Vol.666, p.109-116

2003

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A matrix representation for the geometrical algorithm to search the conformational space (GASCOS) for flexible linear molecules

Journal of molecular structure. Theochem, 2001-08, Vol.571 (1), p.91-98

2001

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An analytic ring closure condition for geometrical algorithm to search the conformational space

Journal of molecular structure. Theochem, 2000-07, Vol.507 (1), p.89-95

2000

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An ab initio exploratory study of side chain conformations for selected backbone conformations of N -acetyl- l -glutamine- N -methylamide

Journal of molecular structure. Theochem, 2001-07, Vol.545 (1-3), p.29-47

2001

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A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules

Journal of molecular structure. Theochem, 1999-05, Vol.465 (1), p.33-67

1999

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An exploratory study of side-chain–backbone interaction in selected conformations of N -acetyl- l -glutamate- N -methylamide. An ab initio study

Journal of molecular structure. Theochem, 2001-06, Vol.543 (1-3), p.203-222

2001

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Binding mechanism of RGD and its mimetics to receptor GPIIb/IIIa. A theoretical study

Journal of molecular structure. Theochem, 2001-05, Vol.540 (1-3), p.257-270

2001

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Exploratory molecular orbital calculations on the keto and enol forms of selected antifungals and those of side-chain substituted acetophenone model compounds

Journal of molecular structure. Theochem, 1999-05, Vol.463 (3), p.283-303

1999

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Aromatization within the putative bio-medical action mechanism of berberine and related cationic alkaloids with double iso-quinolinoid skeleton. A theoretical study

Journal of molecular structure. Theochem, 2001-07, Vol.546 (1), p.243-260

2001

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1,2-Dipolar addition model for the cytoprotective activity of selected α,β-unsaturated compounds with CO functionality: an ab initio study

Journal of molecular structure. Theochem, 2001-03, Vol.538 (1), p.225-233

2001

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Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory

Journal of molecular structure. Theochem, 2001-07, Vol.548 (1), p.39-46

2001

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Correlation of antifungal activity of selected α-substituted acetophenones with their keto–enol tautomerization energy

Journal of molecular structure. Theochem, 2000-06, Vol.504 (1), p.35-50

2000

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Molecular recognition and binding mechanism of N-alkyl-benzyltetrahydroisoquinolines to the D1 dopamine receptor. A computational approach

Journal of molecular structure. Theochem, 2003-12, Vol.666-667, p.455-467

2003

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A search for C–H⋯O type hydrogen bonds in Lamivudine (3TC). An exploratory conformational and electronic analysis

Journal of molecular structure. Theochem, 2001-06, Vol.543 (1-3), p.185-193

2001

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A potentiometric and spectrophotometric study on acid–base equilibria in ethanol-aqueous solution of acetazolamide and related compounds

The Importance of Keto-Enol Forms of Arylpropanoids Acting as Antifungal Compounds

A Conformational Study of Flexible Cyclic Compounds (Hydrocarbon Rings of 9-12 Members)

Analysis of dielectric properties of cytosine in aqueous solution

Syntheses and Antitumor Targeting G1 Phase of the Cell Cycle of Benzoyldihydroisoquinolines and Related 1-Substituted Isoquinolines

Molecular Interactions Between the Active Sites of RGD (Arg-Gly-Asp) with its Receptor (Integrine)

Structure–activity relationship study of homoallylamines and related derivatives acting as antifungal agents

Efficient synthesis and structural analysis of new dioxopiperazine isoquinolines

Dynamics of flexible cycloalkanes. Ab initio and DFT study of the conformational energy hypersurface of cyclononane

Dielectric properties of proline: Hydration effect

Partially relaxed ring closure conditions for geometrical algorithm to search the conformational space for minimum energy conformations

Conformational study of N-alkyl-benzyltetrahydroisoquinolines alkaloid

A matrix representation for the geometrical algorithm to search the conformational space (GASCOS) for flexible linear molecules

An analytic ring closure condition for geometrical algorithm to search the conformational space

An ab initio exploratory study of side chain conformations for selected backbone conformations of N -acetyl- l -glutamine- N -methylamide

A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules

An exploratory study of side-chain–backbone interaction in selected conformations of N -acetyl- l -glutamate- N -methylamide. An ab initio study

Binding mechanism of RGD and its mimetics to receptor GPIIb/IIIa. A theoretical study

Exploratory molecular orbital calculations on the keto and enol forms of selected antifungals and those of side-chain substituted acetophenone model compounds

Aromatization within the putative bio-medical action mechanism of berberine and related cationic alkaloids with double iso-quinolinoid skeleton. A theoretical study

1,2-Dipolar addition model for the cytoprotective activity of selected α,β-unsaturated compounds with CO functionality: an ab initio study

Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory

Correlation of antifungal activity of selected α-substituted acetophenones with their keto–enol tautomerization energy

Molecular recognition and binding mechanism of N-alkyl-benzyltetrahydroisoquinolines to the D1 dopamine receptor. A computational approach

A search for C–H⋯O type hydrogen bonds in Lamivudine (3TC). An exploratory conformational and electronic analysis

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