Articles with public access mandates - Adam A SkeltonLearn more
Not available anywhere: 5
ReaxFF molecular dynamics simulation for the graphitization of amorphous carbon: a parametric study
K Li, H Zhang, G Li, J Zhang, M Bouhadja, Z Liu, AA Skelton, M Barati
Journal of chemical theory and computation 14 (5), 2322-2331, 2018
Mandates: National Natural Science Foundation of China
12-crown-4 ether disrupts the patient brain-derived amyloid-β-fibril trimer: Insight from all-atom molecular dynamics simulations
N Agrawal, AA Skelton
ACS chemical neuroscience 7 (10), 1433-1441, 2016
Mandates: National Research Foundation, South Africa
Binding of 12-crown-4 with Alzheimer’s Aβ40 and Aβ42 monomers and its effect on their conformation: insight from molecular dynamics simulations
N Agrawal, AA Skelton
Molecular pharmaceutics 15 (1), 289-299, 2018
Mandates: National Research Foundation, South Africa
Identification of novel selective MMP-9 inhibitors as potential anti-metastatic lead using structure-based hierarchical virtual screening and molecular dynamics simulation
S Kalva, N Agrawal, AA Skelton, LM Saleena
Molecular BioSystems 12 (8), 2519-2531, 2016
Mandates: National Research Foundation, South Africa
Unraveling the mechanism of l-gulonate-3-dehydrogenase inhibition by ascorbic acid: Insights from molecular modeling
N Agrawal, MS Hossain, AA Skelton, K Muralidhar, S Kaushik
Computational Biology and Chemistry 77, 146-153, 2018
Mandates: Department of Science & Technology, India, National Research Foundation …
Available somewhere: 3
Interplay between electrostatic and hydrophobic interactions in the pH-dependent adsorption of ibuprofen onto acid-functionalized multiwalled carbon nanotubes
OA Oyetade, BS Martincigh, AA Skelton
The Journal of Physical Chemistry C 122 (39), 22556-22568, 2018
Mandates: National Research Foundation, South Africa
Exploiting covalent, H-bonding, and π–π interactions to design antibacterial PDMS interfaces that load and release salicylic acid
I Sorzabal-Bellido, YA Diaz-Fernandez, A Susarrey-Arce, AA Skelton, ...
ACS Applied Bio Materials 2 (11), 4801-4811, 2019
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Synthesis, photostability and antibacterial activity of a series of symmetrical α, β-unsaturated ketones as potential UV filters
B Magaji, P Singh, AA Skelton, BS Martincigh
Journal of Photochemistry and Photobiology A: Chemistry 445, 115018, 2023
Mandates: Council of Scientific and Industrial Research, India, National Research …
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