Mimicking nature: computational design of better antioxidants

Karton, Amir (Chief Investigator)

School of Molecular Sciences

Status	Finished
Effective start/end date	1/01/14 → 31/05/17

Funding

Australian Research Council: A$395,220.00

Access Project

http://purl.org/au-research/grants/arc/DE140100311

15 Article

Computational insights for the hydride transfer and distinctive roles of key residues in cholesterol oxidase
Yu, L., Golden, E. A., Chen, N., Zhao, Y., Vrielink, A. & Karton, A., 1 Dec 2017, In: Scientific Reports. 7, 1, 13 p., 17265.
Research output: Contribution to journal › Article › peer-review

Open Access
13 Citations (Scopus)
How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder
Karton, A., 5 Mar 2017, In: Journal of Computational Chemistry. 38, 6, p. 370-382 13 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
37 Citations (Web of Science)

40 Downloads (Pure)
Stability of the chlorinated derivatives of the DNA/RNA nucleobases, purine and pyrimidine toward radical formation via homolytic CCl bond dissociation
Kaliyeva, L., Zhumagali, S., Akhmetova, N., Karton, A. & O'Reilly, R. J., 15 Feb 2017, In: International Journal of Quantum Chemistry. 117, 4, e25319.
Research output: Contribution to journal › Article › peer-review

Open Access
File
9 Citations (Scopus)

231 Downloads (Pure)