L. Hu, Bert L. de Groot*, R.-X. Gu*. Gating Crosstalk in Potassium Channels. PNAS, 2026, 123 (37), e2605103123.

Q. Guen#, J. Zhang#, Y. Qian, Y. Zeng, X. Yu, R.-X. Gu*, H. Dou*. Nanoparticle Internalization into Protocells through Dynamic Membrane Remodeling Guided by Electrostatic Repulsion. ACS Nano, 2026, 20(29), 20656-20672.

Y. Dai, J. Zhao, B. Wang*, Q. Liang*, R.-X. Gu*. Recognition of Coexisting Phases in Model Membranes via an Unsupervised Method. Journal of Chemical Information and Modeling, 2026, 66, 1840-1851.

R.-X. Gu, and B. L. de Groot. Central Cavity Dehydration as A Gating Mechanism of Potassium Channels. Nature Communications, 2023, 14:2178.

R.-X. Gu, and B. L. de Groot. Lipid-Protein Interactions Modulate the Conformational Equilibrium of a Potassium Channel. Nature Communications, 2020, 11:2162.

R.-X. Gu#, S. Baoukina#, and D. P. Tieleman. Phase Separation in Atomistic Simulations of Model Membranes. Journal of the American Chemical Society, 2020, 142 (6), 2844-2856.

R.-X. Gu, H. I. Ingólfsson, A. H. de Vries, S. J. Marrink, and D. P. Tieleman. Ganglioside-Lipid and Ganglioside-Protein Interactions Revealed by Coarse-Grained and Atomistic Molecular Dynamics Simulations. Journal of Physical Chemistry B, 2017, 117 (20), 6042-6051.

R.-X. Gu, L. A. Liu, and D. Q. Wei. Structural and Energetic Analysis of Drug Inhibition of the Influenza A M2 Proton Channel. Trends in Pharmacological Sciences, 2013, 34 (10), 571-580.

R.-X. Gu, L. A. Liu, D. Q. Wei, J. G. Du, L. Liu, and H. Liu. Free Energy Calculations on the Two Drug Binding Sites in the M2 Proton Channel. Journal of the American Chemical Society, 2011, 133 (28), 10817-10825.