Adam A. Skelton
University of KwaZulu-Natal(ZA)
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Chemical Reaction Mechanisms, Computational Drug Discovery Methods, Protein Structure and Dynamics, Crystallography and molecular interactions
Most-Cited Works
- → Simulations of the Quartz(1011)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments(2011)235 cited
- → Interplay of Sequence, Conformation, and Binding at the Peptide−Titania Interface as Mediated by Water(2009)144 cited
- → Computer Simulations of Quartz (101)–Water Interface over a Range of pH Values(2015)128 cited
- → Ion pairing with linoleic acid simultaneously enhances encapsulation efficiency and antibacterial activity of vancomycin in solid lipid nanoparticles(2014)118 cited
- → Investigating the Quartz (1010)/Water Interface using Classical and Ab Initio Molecular Dynamics(2011)95 cited
- → Experimental and DFT studies on the selective adsorption of Pb 2+ and Zn 2+ from aqueous solution by nitrogen-functionalized multiwalled carbon nanotubes(2017)87 cited
- → Green synthesis, characterization and electrochemical sensing of silymarin by ZnO nanoparticles: Experimental and DFT studies(2017)80 cited
- → ReaxFF Molecular Dynamics Simulation for the Graphitization of Amorphous Carbon: A Parametric Study(2018)73 cited
- → A New Hypothesis for the Dissolution Mechanism of Silicates(2012)60 cited
- → Comment on “Structure and dynamics of liquid water on rutile TiO2(110)”(2012)53 cited