- 李世新，郝振宇．分子模拟技术辅助《药剂学》教学的研究[J]．广东化工，2024，51(16)：238-239.
- Liu K,...,Hao Z, Li S*, and Wang Q* et al. The Discovery of Novel Agents against Staphylococcus aureus by Targeting Sortase A: A Combination of Virtual Screening and Experimental Validation[J]. Pharmaceuticals, 2023, 17(1): 58. (SCI 3区，IF : 4.3, 通讯作者).
- Li S, Huang F, Xia T, et al. Phosphatidylinositol 4, 5-Bisphosphate Sensing Lipid Raft via Inter-Leaflet Coupling Regulated by Acyl Chain Length of Sphingomyelin[J]. Langmuir, 2023, 39, 17, 5995–6005. （SCI 2区，IF：4.331）.
- Li S, Wang S, Yan B, et al. Surface properties of nanoparticles dictate their toxicity by regulating adsorption of humic acid molecules[J]. ACS Sustainable Chemistry & Engineering, 2021, 9(41): 13705-13716. (SCI 1区，IF：9.224).2021,
- Li S, Lv R, Yan Z, et al. Design of Alanine-rich Short Peptides as a Green Alternative of Gas Hydrate Inhibitors: Dual Methyl Group Docking for Efficient Adsorption on the Surface of Gas Hydrates [J]. ACS Sustainable Chemistry & Engineering, 2020, 8, 4256-4266. (SCI 1区，IF：9.224).
- Liu Y#, Li S#, Liu X, et al. Design of Small Nanoparticles Decorated with Amphiphilic Ligands: Self-Preservation Effect and Translocation into a Plasma Membrane [J]. ACS applied materials & interfaces, 2019, 11(27): 23822-23831. (SCI 1区，#共同一作，IF：10.383).
- Li S, Yan Z, Huang F, et al. How a lipid bilayer membrane responds to an oscillating nanoparticle: Promoted membrane undulation and directional wave propagation [J]. Colloids and Surfaces B: Biointerfaces, 2020, 187, 110651.(SCI 2区，IF：3.973，封面文章).
- Li S, Luo Z, Xu Y, et al. Interaction pathways between soft lipid nanodiscs and plasma membranes: A molecular modeling study [J]. Biochimica et Biophysica Acta (BBA)-Biomembranes, 2017, 1859(10): 2096-2105. (SCI 2区，IF：4.441).
- Li S, Lv R, Wu Y, et al. Size-, Aggregation-, and Oxidization-Dependent Perturbation of Methane Hydrate by Graphene Nanosheets Revealed by Molecular Dynamics Simulations[J]. The Journal of Physical Chemistry C, 2019, 123(20): 13154-13166. (SCI 2区，IF：4.309).
- Li S, Yan Z, Luo Z, et al. Directional and rotational motions of nanoparticles on plasma membranes as local probes of surface tension propagation [J]. Langmuir, 2019, 35(15): 5333-5341.（SCI 2区，IF：4.331）.
