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Publications in Surfaces

Protein-Ligand Interaction Energy-Based Entropy Calculations: Fundamental Challenges for Flexible Systems

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2018English

The Effects of Surface Properties on Escherichia Coli Adhesion Are Modulated by Shear Stress

Colloids and Surfaces B: Biointerfaces
SurfacesColloidInterfacesTheoretical ChemistryMedicineBiotechnologySurface ChemistryPhysical
2014English

The Formation of a Modified Surface Layer on Elastomeric Materials

Tribology Letters
Mechanics of MaterialsSurfacesMechanical EngineeringInterfacesFilmsCoatings
2019English

Non-Exponential Kinetics of Loop Formation in Proteins and Peptides: A Signature of Rugged Free Energy Landscapes?

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2017English

Dynamics of Metastable Β-Hairpin Structures in the Folding Nucleus of Amyloid Β-Protein

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide From First Principles: Implications for Solar Energy Conversion

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2014English

Quantum Mechanical/Molecular Mechanical Structure, Enantioselectivity, and Spectroscopy of Hydroxyretinals and Insights Into the Evolution of Color Vision in Small White Butterflies

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2011English

Π- Vs Σ-Radical States of One-Electron-Oxidized DNA/RNA Bases: A Density Functional Theory Study

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2013English

Fine-Tuning of Chemical and Physical Polymer Surface Modifications by Atmospheric Pressure Post-Discharge Plasma and Its Correlation With Adhesion Improvement

Surface and Coatings Technology
SurfacesCondensed Matter PhysicsInterfacesMaterials ChemistryFilmsCoatingsChemistry
2019English

Dynamics of Dicyanamide in Ionic Liquids Are Dominated by Local Interactions

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2019English

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