Research outputs
2024
Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS
Guruge, A. G., Makki, H., & Troisi, A. (2024). Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS. Journal of Materials Chemistry C. doi:10.1039/d4tc03066d
2023
Molecular Dynamics Simulation Studies of Bile, Bile Salts, Lipid-Based Drug Formulations, and mRNA-Lipid Nanoparticles: A Review.
Guruge, A. G., Warren, D. B., Pouton, C. W., & Chalmers, D. K. (2023). Molecular Dynamics Simulation Studies of Bile, Bile Salts, Lipid-Based Drug Formulations, and mRNA-Lipid Nanoparticles: A Review.. Molecular pharmaceutics, 20(6), 2781-2800. doi:10.1021/acs.molpharmaceut.3c00049
2021
Computational and Experimental Models of Type III Lipid-Based Formulations of Loratadine Containing Complex Nonionic Surfactants.
Guruge, A. G., Warren, D. B., Benameur, H., Ford, L., Williams, H. D., Jannin, V., . . . Chalmers, D. K. (2021). Computational and Experimental Models of Type III Lipid-Based Formulations of Loratadine Containing Complex Nonionic Surfactants.. Molecular pharmaceutics, 18(12), 4354-4370. doi:10.1021/acs.molpharmaceut.1c00547
Aqueous phase behavior of the PEO-containing non-ionic surfactant C<sub>12</sub>E<sub>6</sub>: A molecular dynamics simulation study.
Guruge, A. G., Warren, D. B., Benameur, H., Pouton, C. W., & Chalmers, D. K. (2021). Aqueous phase behavior of the PEO-containing non-ionic surfactant C<sub>12</sub>E<sub>6</sub>: A molecular dynamics simulation study.. Journal of colloid and interface science, 588, 257-268. doi:10.1016/j.jcis.2020.12.032
2016
An In Silico Approach of Coumarin-Derived Inhibitors for Human DNA Topoisomerase I
Guruge, A. G., Udawatte, C., & Weerasinghe, S. (2016). An In Silico Approach of Coumarin-Derived Inhibitors for Human DNA Topoisomerase I. Australian Journal of Chemistry, 69(9), 1005. doi:10.1071/ch16232
2014
Ab initio study on transition states of formohydroxamic acid tautomerization in the presence of water molecules
Guruge, A. G., & Dissanayake, D. P. (2014). Ab initio study on transition states of formohydroxamic acid tautomerization in the presence of water molecules. Computational and Theoretical Chemistry, 1032, 50-55. doi:10.1016/j.comptc.2014.01.027