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Publications in Theoretical Chemistry

Application of Protocols Devised to Study Bi(III) Complex Formation by Voltammetry: The Bi(III)–Picolinic Acid System

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

Dimeric Benzoboroxoles for Targeted Activity Against Mycobacterium Tuberculosis

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2019English

Sulfisoxazole/Cyclodextrin Inclusion Complex Incorporated in Electrospun Hydroxypropyl Cellulose Nanofibers as Drug Delivery System

Colloids and Surfaces B: Biointerfaces
SurfacesColloidInterfacesTheoretical ChemistryMedicineBiotechnologySurface ChemistryPhysical
2015English

Interactions of CuBwith Carbon Monoxide in CytochromecOxidase: Origin of the Anomalous Correlation Between the Fe–CO and C–O Stretching Frequencies

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2015English

Synthesis of Fluorinated Fused Benzofurans and Benzothiophenes: Smiles-Type Rearrangement and Cyclisation of Perfluoro(het)aryl Ethers and Sulfides

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2011English

Understanding the Specificity of a Docking Interaction Between JNK1 and the Scaffolding Protein JIP1

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2011English

Disruption of Phosphatidylcholine Monolayers and Bilayers by Perfluorobutane Sulfonate

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Dissecting Two-Dimensional Ultraviolet Spectra of Amyloid Fibrils Into Beta-Strand and Turn Contributions

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Selective Permeability of Carboxysome Shell Pores to Anionic Molecules

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2018English

Mechanical Stability of a High-Affinity Toxin Anchor From the Pathogen Clostridium Perfringens

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

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