All Stories

  1. Novel pKa/DFT-Based Theoretical Model for Predicting the Drug Loading and Release of a pH-Responsive Drug Delivery System

    Article • The Journal of Physical Chemistry C, May 2018, American Chemical Society (ACS)

    Dr Adam A Skelton

  2. Dynamical Properties of Water and Ions at the Quartz (101)–Water Interface at a Range of Solution Conditions: A Classical Molecular Dynamics Study

    Article • The Journal of Physical Chemistry C, January 2018, American Chemical Society (ACS)

    Dr Adam A Skelton

  3. Molecular interaction of selected phytochemicals under the charged environment ofPlasmodium falciparumchloroquine resistance transporter (PfCRT) model

    Article • Journal of Biomolecular Structure and Dynamics, April 2015, Taylor & Francis

    Dr Adam A Skelton

  4. Molecular dynamics simulation and conformational analysis of some catalytically active peptides

    Article • Journal of Molecular Modeling, April 2015, Springer Science + Business Media

    Dr Adam A Skelton

  5. Quantum mechanical calculations of the interactions between diazacrowns and the sodium cation: an insight into Na+ complexation in diazacrown-based synthetic ion channels

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr Adam A Skelton

  6. Application of Non-Linear Hammett Relationship to Surface Tensions and Dipole Moments in Estimating the Associative Behavior of Phenols: A Chemical Educational Article to Graduate Students

    Article • Asian Journal of Chemistry, January 2015, Asian Journal of Chemistry

    Dr Adam A Skelton

  7. Non-linear Taft correlation

    Article • International Journal of Chemical Kinetics, November 2014, Wiley

    Professor Jagannadham Vandanapu, Dr Adam A Skelton

  8. Ion pairing with linoleic acid simultaneously enhances encapsulation efficiency and antibacterial activity of vancomycin in solid lipid nanoparticles

    Article • Colloids and Surfaces B Biointerfaces, May 2014, Elsevier

    Dr Adam A Skelton

  9. A critical survey of average distances between catalytic carboxyl groups in glycoside hydrolases

    Article • Proteins Structure Function and Bioinformatics, February 2014, Wiley

    Dr Adam A Skelton

  10. Target-Bound Generated Pharmacophore Model to Improve the Pharmacophore-Based Virtual Screening: Identification of G-Protein Coupled Human CCR2 Receptors Inhibitors as Anti-Inflammatory Drugs

    Article • Cellular and Molecular Bioengineering, September 2013, Springer Science + Business Media

    Dr Adam A Skelton

  11. Adsorption of Arginine–Glycine–Aspartate Tripeptide onto Negatively Charged Rutile (110) Mediated by Cations: The Effect of Surface Hydroxylation

    Article • ACS Applied Materials & Interfaces, April 2013, American Chemical Society (ACS)

    Dr Adam A Skelton

  12. The water-channel forming ability of heptapeptide-based anion channels: insights from molecular dynamics simulations

    Article • Soft Matter, January 2013, Royal Society of Chemistry

    Dr Adam A Skelton

  13. A New Hypothesis for the Dissolution Mechanism of Silicates

    Article • The Journal of Physical Chemistry C, August 2012, American Chemical Society (ACS)

    Dr Adam A Skelton

  14. Computational simulations of hydrolysis of phosphazene oligomer utilizing atom-centered density matrix propagation

    Article • International Journal of Quantum Chemistry, April 2012, Wiley

    Dr Adam A Skelton

  15. Modeling the Interaction between Integrin-Binding Peptide (RGD) and Rutile Surface: The Effect of Cation Mediation on Asp Adsorption

    Article • Langmuir, February 2012, American Chemical Society (ACS)

    Dr Adam A Skelton

  16. Modeling the Interaction between Integrin-Binding Peptide (RGD) and Rutile Surface: The Effect of Na + on Peptide Adsorption

    Article • The Journal of Physical Chemistry C, November 2011, American Chemical Society (ACS)

    Dr Adam A Skelton

  17. Investigating the Quartz (101̅0)/Water Interface using Classical and Ab Initio Molecular Dynamics

    Article • Langmuir, July 2011, American Chemical Society (ACS)

    Dr Adam A Skelton

  18. Interplay of Sequence, Conformation, and Binding at the Peptide−Titania Interface as Mediated by Water

    Article • ACS Applied Materials & Interfaces, July 2009, American Chemical Society (ACS)

    Dr Adam A Skelton