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, S. Baoukina, and D. P. Tieleman. Spontaneous Cholesterol Flip-Flop in Membranes with Coexisting Domains. Journal of Chemical Theory and Computation, 2019, 15 (3), 2064-2070.

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.

H. R. Arias#, R.-X. Gu#, D. Feuerbach, B. B. Guo, Y. Ye, and D. Q. Wei. Novel Positive Allosteric Modulators of the Human α7 Nicotinic Acetylcholine Receptor. Biochemistry, 2011, 50 (23), 5263-5278