Publications

38. Coady, Z., Smith, J., Wilson, K.A., and White, N. (2024). Stereospecific single step cyclization to give beltfunctionalized pillar[6]arenes. The Journal of Organic Chemistry, 89, 1397. (doi.org/acs.joc.3c01868)

37. Cantwell Chater, R., Quinn, A.S., Wilson, K.A., Frangos, Z.J., Sutton, P., Jayakumar, S., Cioffi, C.L., O'Mara, M.L., Vandenberg, R.J. (2024) The efficacy of the analgesic GlyT2 inhibitor, ORG25543, is determined by two connected allosteric sites. Journal of Neurochemistry, (doi.org/10.1111/jnc.16028)

36. MacDermott-Opeskin, H.I., Wilson, K.A., and O’Mara, M.L. (2023) The Impact of Antimicrobial Peptides on the Acinetobacter baumannii Inner Membrane Is Modulated by Lipid Polyunsaturation. ACS Infectious Diseases, 9, 815. (doi.org/10.1021/acsinfecdis.2c00530)

35. Frangos, Z.J., Wilson, K.A., Aitken, H.M., Cantwell Chater, R. Vandenberg, R.J., and O’Mara, M.L. (2023) Membrane cholesterol regulates inhibitor sensitivity and substrate transport by the glycine transporter, GlyT2. Life Science Alliance, 6, e202201708. (doi.org/10.26508/lsa.202201708)

34. Qin, J., Wilson, K.A., Sarkar, S., Heras, B., O’Mara, M.L. and Totsika, M. (2022) Conserved FimH mutations in the global Escherichia coli ST131 multi-drug resistant lineage alter the protein conformational landscape and adhesin function. Comput. Struct. Biotechnol. J., 20, 4532.(doi.org/10.1016/j.csbj.2022.08.040)

33. Wilson, K.A., Jeong, Y.E.R. and Wetmore, S.D. (2022) Multiscale Computational Investigations of the Translesion Synthesis Bypass of Tobacco-derived DNA Adducts: Critical Insights that Complement Experimental Biochemical Studies. Phys. Chem. Chem. Phy., 24, 10667. (2022 HOT PCCP article and Invited Perspective for PCCP Reviews Collection; doi.org/10.1039/d2cp00481j)

32. Chen, X., Wilson, K.A., Schaefer, N., De Hayr, L., Windsor, M., Scalais, E., van Rijckevorsel, G., Stouffs, K., Villmann, C., O'Mara, M.L., Lynch, J.W., Harvey, R.J. (2022) Loss, Gain and Altered Function of GlyR α2 Subunit Mutations in Neurodevelopmental Disorders. Front. Mol. Neurosci., 15, 886729. (doi.org/10.3389/fnmol.2022.886729)

31. Wilson, K.A., Wang, L., and O'Mara, M.L. (2021) The Site of Cholesterol Oxidation Impacts its Localisation and Domain Formation in the Neuronal Plasma Membrane. ACS Chem. Neurosci., 12, 3873. (doi.org/10.1021/acschemneuro.1c00395)

30. Bhutani, P., Murray, M., Sommer, C., Wilson, K.A., and Wetmore, S.D. (2021) Structural Rationalization for the Nonmutagenic and Mutagenic Bypass of the Tobacco-Derived O4-4-(3-pyridyl)-4-oxobut-1-yl-thymine Lesion by Human Polymerase η: A Multiscale Computational Study. Chem. Res. Toxicol., 34, 1619.(doi.org/10.1021/acs.chemrestox.1c00063)

29. Wilson, K.A., Wang, L., Lin, Y, and O'Mara, M.L. (2021) Investigating the lipid fingerprint of SLC6 neurotransmitter transporters: a comparison of dDAT, hDAT, hSERT, and GlyT2. BBA Advances, 1, 100010. (doi.org/10.1016/j.bbadva.2021.100010)

28. Wilson, K.A., Fairweather, S., MacDermott-Opeskin, H., Wang, L., Morris, R., and O'Mara, M.L. (2021) The role of plasmalogens, Forssman lipids, and sphingolipid hydroxylation in modulating the biophysical properties of the epithelial plasma membrane. J. Chem. Phys., 154, 095101. (Invited Article for Special Collection in Honor of Women in Chemical Physics and Physical Chemistry; doi.org/10.1063/5.0040887)

27. Wilson, K.A., Mostyn, S.N., Frangos, Z.J., Shimmon, S., Rawling, T., Vandenberg, R.J., and O’Mara, M.L. (2021) The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavity. J. Biol. Chem., 296, 100282. (doi.org/10.1016/j.jbc.2021.100282)

26. Wilson, K.A., Kung, R.,W., D'souza, S., Wetmore, S.D. (2021) Anatomy of noncovalent interactions between the nucleobases or ribose and π–containing amino acids in RNA–protein complexes. Nucleic Acids Res., 49, 2213. (doi.org/10.1093/nar/gkab008)

25. Wilson, K.A., Macdermott-Opeskin, H., Riley, E., Lin, Y, and O'Mara, M.L. (2020) Understanding the link between lipid diversity and the biophysical properties of the neuronal plasma membrane. Biochemistry, 59, 3010. (doi.org/10.1021/acs.biochem.0c00524)

24. Ou, A., Schmidberger, J.W., Wilson, K.A., Hargreaves, J.A., Grigg, M., O’Mara, M.L., Iyer, K.S., Bond, C.S., and Smith, N.M. (2020) High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A π-stacking interactions for small-molecule recognition. Nucleic Acids Res., 48, 5766. (doi.org/10.1093/nar/gkaa262)

23. Wilson, K.A., Wang, L., Macdermott-Opeskin, H., O’Mara, M.L. (2020) The fats of life: Using computational chemistry to characterise the eukaryotic cell membrane. Aust. J. Chem., 73, 85. (Invited Article for Special Issue in honor of Frances Separovic; doi.org/10.1071/CH19353)

22. Mostyn, S.N., Wilson, K.A., Schumann-Gillett, A., Frangos, Z.J., Shimmon, S., Rawling, T., Ryan, R.M., O’Mara, M.L., Vandenberg, R.J. (2019) Identification of an allosteric binding site on the Glycine Transporter, GlyT2, for bioactive lipid analgesics. eLife, 8, e47150. (doi.org/10.7554/eLife.47150)

21. Bhutani, P., Nikkel, D., Wilson, K.A., and  Wetmore, S.D. (2019) Computational insight into the differential mutagenic patterns of O-methylthymine lesions. Chem. Res. Toxicol., 32, 2107. (doi.org/10.1021/acs.chemrestox.9b00291)

20. Wilson, K.A., Garden, J.L., Wetmore, N.T., Felske, L.R., and Wetmore, S.D. (2019) DFT and MD studies of formaldehyde-derived DNA adducts: Molecular level insights into the differential mispairing potentials of the adenine, cytosine and guanine lesions. J. Phys. Chem. A, 123, 6229. (Invited Article for the Journal of Physical Chemistry virtual special issue “Leo Radom Festschrift”; doi.org/10.1021/acs.jpca.9b03899)

19. Wilson, K.A., Fernandes, P.A., Ramos, M.J., and Wetmore, S.D. (2019) Exploring the identity of the general base for a DNA polymerase catalyzed reaction using QM/MM: The case study of human TLS polymerase η. ACS Catalysis, 9, 2543. (doi.org/10.1021/acscatal.8b04889)

18. Wilson, K.A., Holland, C.D., and Wetmore, S.D. (2019) Uncovering a unique approach for damaged DNA replication: A computational investigation of a mutagenic tobacco-derived thymine lesion. Nucleic Acids Res., 47, 1871. (doi.org/10.1093/nar/gky1265)

17. Wilson, K.A., Garden, J.L., Wetmore, N.T. and Wetmore, S.D. (2018) Computational Insights into the Mutagenicity of Two Tobacco Derived Carcinogenic DNA Lesions. Nucleic Acids Res., 46, 11858. (doi.org/10.1093/nar/gky1071)

16. Cai, A., Wilson, K.A., Wetmore S.D. and Cho, B.P. (2018) DNA Base Sequence Effects on Bulky Lesion-Induced Conformational Heterogeneity during Simulated Translesion Synthesis. Nucleic Acids Res., 46, 6356. (doi.org/10.1093/nar/gky409)

15. Wilson K.A. and Wetmore S.D. (2017) Conformational Flexibility of the Benzyl-guanine Adduct in a Bypass Polymerase Active Site Permits Replication: Insights from Molecular Dynamics Simulations. Chem. Res. Toxicol., 30, 2013. (Invited Article for Special Issue on DNA Polymerases: From Molecular Mechanisms to Human Disease; doi.org/10.1021/acs.chemrestox.7b00179).

14. Wilson K.A., Szemethy K.G., and Wetmore S.D. (2017) Conformational flexibility and base-pairing tendency of the tobacco carcinogen O6-[4-oxo-4-(3-pyridyl) butyl] guanine. Biophys. Chem., 228, 25. (doi.org/10.1016/j.bpc.2017.06.001)

13. Wilson K.A. and Wetmore S.D. (2017) Molecular Insights into the Translesion Synthesis of Benzyl-Guanine from Molecular Dynamics Simulations: Structural Evidence of Mutagenic and Nonmutagenic Replication. Biochemistry, 56, 1841. (doi.org/10.1021/acs.biochem.6b01247)

12. Wilson K.A. and Wetmore S.D. (2017) Combining crystallographic and quantum chemical data to understand DNA-protein π-interactions in nature. Struct. Chem., 28, 1487. (Invited Article for Special Issue dedicated to Prof. Lou Massa on the occasion of his Festschrift; doi.org/10.1007/s11224-017-0954-7)

11. Albrecht, L., Wilson K.A. and Wetmore S.D. (2016) Computational evaluation of nucleotide insertion opposite expanded and widened DNA by the translesion synthesis polymerase Dpo4. Molecules, 21, 822. (Invited Article for Special Issue on Computational Design: A New Approach to Drug and Molecular Discovery; doi.org/10.3390/molecules21070822).

10. Wilson, K.A., Kung, R.W. and Wetmore S.D. (2016) Toxicology of DNA Adducts Formed Upon Human Exposure to Carcinogens: Insights Gained from Molecular Modeling. ed. Fishbein J. Advances in Molecular Toxicology. Elsevier.

9. Wilson, K.A., Wells, R.A., Abendong, M., Anderson, C., Kung, R.W. and Wetmore, S.D. (2016) Landscape of π–π and Sugar–π Contacts in DNA–protein Interactions, J. Biomol. Struct. Dyn., 34, 184. (doi.org/10.1080/07391102.2015.1013157)

8. Wilson, K.A., Holland, D.J. and Wetmore S.D. (2015) Topology of RNA-protein nucleobase-amino acid π–π interactions and comparison to analogous DNA-protein π–π contacts, RNA, 22, 696. (doi.org/10.1261/rna.054924.115)

7. Kellie, J.L., Wilson, K.A. and Wetmore, S.D. (2015) An ONIOM and MD Investigation of Possible Monofunctional Activity of Human 8-Oxoguanine–DNA Glycosylase (hOgg1),  J. Phys. Chem. B, 119, 8013. (doi.org/10.1021/acs.jpcb.5b04051)

6. Hussain, H, Wilson, K.A. and Wetmore, S.D. (2014) Serine and Cysteine π-Interactions in Nature: A Comparison of the Frequency, Structure, and Stability of Contacts Involving Oxygen and Sulfur, Aust. J. Chem., 68, 385. (Invited Article for Special Issue in Memory of R. Langler; doi.org/10.1071/CH14598).

5. Wilson K.A. and Wetmore S.D. (2014) A Survey of DNA–Protein π–interactions: A Comparison of Natural Occurrences and Structures and Computationally Predicted Structures and Strengths. ed. Scheiner S. Noncovalent Forces. Springer.

4. Wilson, K.A. and Wetmore, S.D. (2014) Complex Conformational Heterogeneity of the Highly Flexible O6-Benzyl-guanine DNA Adduct, Chem. Res. Toxicol., 27, 1310. (doi.org/10.1021/tx500178x)

3. Wilson, K.A., Kellie, J.L. and Wetmore, S.D. (2014) DNA–protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar, Nucleic Acids Res., 42, 6726. (doi.org/10.1093/nar/gku269)

2. Kellie, J.L., Wilson, K.A. and Wetmore, S.D. (2013) Standard Role for a Conserved Aspartate or More Direct Involvement in Deglycosylation? An ONIOM and MD Investigation of Adenine–DNA Glycosylase, Biochemistry, 52, 8753. (doi.org/10.1021/bi401310w)

1. Manderville, R.A., Omumi, A., Rankin, K.M., Wilson, K.A., Millen, A.L. and Wetmore, S.D. (2012) Fluorescent C-Linked C8-Aryl-guanine Probe for Distinguishing syn from anti Structures in Duplex DNA, Chem. Res. Toxicol., 25, 1271. (doi.org/10.1021/tx300152q)