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Publications in Theoretical Chemistry

Bunching Effect in Single-Molecule T4 Lysozyme Nonequilibrium Conformational Dynamics Under Enzymatic Reactions

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

Polymeric PARACEST MRI Contrast Agents as Potential Reporters for Gene Therapy

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2010English

Single Tryptophan and Tyrosine Comparisons in the N-Terminal and C-Terminal Interface Regions of Transmembrane GWALP Peptides

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2013English

Synthesis of Α,ω-Polyfluorinated Α-Amino Acid Derivatives and Δ,δ-Difluoronorvaline

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Towards Aspirin-Inspired Self-Immolating Molecules Which Target the Cyclooxygenases

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2015English

A Study of Diketopiperazines as Electron-Donor Initiators in Transition Metal-Free Haloarene–arene Coupling

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2017English

Conformational Sampling of Peptides in the Presence of Protein Crowders From AA/CG-Multiscale Simulations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Fluorescence of Tryptophan in Designed Hairpin and TRP-Cage Miniproteins: Measurements of Fluorescence Yields and Calculations by Quantum Mechanical Molecular Dynamics Simulations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2013English

Substrate Dependent Native Luminescence From Cytochromes P450 3A4, 2C9, and P450cam

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

Ethanol Controls the Self-Assembly and Mesoscopic Properties of Amyloid Spherulites

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2018English

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