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Ruo-Xu Gu
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Lipid–protein interactions are unique fingerprints for membrane proteins
V Corradi, E Mendez-Villuendas, HI Ingˇlfsson, RX Gu, I Siuda, MN Melo, ...
ACS central science 4 (6), 709-717, 2018
2612018
Ganglioside-lipid and ganglioside-protein interactions revealed by coarse-grained and atomistic molecular dynamics simulations
RX Gu, HI Ingólfsson, AH De Vries, SJ Marrink, DP Tieleman
The Journal of Physical Chemistry B 121 (15), 3262-3275, 2017
962017
Cholesterol flip-flop in heterogeneous membranes
RX Gu, S Baoukina, DP Tieleman
Journal of chemical theory and computation 15 (3), 2064-2070, 2019
812019
Visualization of the mechanosensitive ion channel MscS under membrane tension
Y Zhang, C Daday, RX Gu, CD Cox, B Martinac, BL de Groot, T Walz
Nature 590 (7846), 509-514, 2021
792021
Destabilization of Alzheimer’s Aβ42 protofibrils with a novel drug candidate wgx-50 by molecular dynamics simulations
HM Fan, RX Gu, YJ Wang, YL Pi, YH Zhang, Q Xu, DQ Wei
The Journal of Physical Chemistry B 119 (34), 11196-11202, 2015
722015
Possible drug candidates for Alzheimer's disease deduced from studying their binding interactions with α7 nicotinic acetylcholine receptor
RX Gu, H Gu, ZY Xie, JF Wang, HR Arias, DQ Wei, KC Chou
Medicinal Chemistry 5 (3), 250-262, 2009
652009
Novel positive allosteric modulators of the human α7 nicotinic acetylcholine receptor
HR Arias, RX Gu, D Feuerbach, BB Guo, Y Ye, DQ Wei
Biochemistry 50 (23), 5263-5278, 2011
612011
Phase separation in atomistic simulations of model membranes
RX Gu, S Baoukina, DP Tieleman
Journal of the American Chemical Society 142 (6), 2844-2856, 2020
532020
Structural and energetic analysis of drug inhibition of the influenza A M2 proton channel
RX Gu, LA Liu, DQ Wei
Trends in pharmacological sciences 34 (10), 571-580, 2013
472013
Free energy calculations on the two drug binding sites in the M2 proton channel
RX Gu, LA Liu, DQ Wei, JG Du, L Liu, H Liu
Journal of the American Chemical Society 133 (28), 10817-10825, 2011
442011
Different interaction between the agonist JN403 and the competitive antagonist methyllycaconitine with the human α7 nicotinic acetylcholine receptor
HR Arias, RX Gu, D Feuerbach, DQ Wei
Biochemistry 49 (19), 4169-4180, 2010
342010
Inhibition of β-amyloid channels with a drug candidate wgx-50 revealed by molecular dynamics simulations
S Hou, RX Gu, DQ Wei
Journal of chemical information and modeling 57 (11), 2811-2821, 2017
332017
Structural comparison of the wild-type and drug-resistant mutants of the influenza A M2 proton channel by molecular dynamics simulations
RX Gu, LA Liu, YH Wang, Q Xu, DQ Wei
The Journal of Physical Chemistry B 117 (20), 6042-6051, 2013
332013
Coarse-grained molecular dynamics simulations reveal lipid access pathways in P-glycoprotein
E Barreto-Ojeda, V Corradi, RX Gu, DP Tieleman
Journal of General Physiology 150 (3), 417-429, 2018
322018
Lipid-protein interactions modulate the conformational equilibrium of a potassium channel
RX Gu, BL de Groot
Nature Communications 11 (1), 2162, 2020
312020
The α7 nAChR selective agonists as drug candidates for Alzheimer’s disease
H Fan, R Gu, D Wei
Advance in Structural Bioinformatics, 353-365, 2015
282015
Structure of transmembrane helix 8 and possible membrane defects in CFTR
V Corradi, RX Gu, P Vergani, DP Tieleman
Biophysical Journal 114 (8), 1751-1754, 2018
262018
Conformational changes of the antibacterial peptide ATP binding cassette transporter McjD revealed by molecular dynamics simulations
RX Gu, V Corradi, G Singh, HG Choudhury, K Beis, DP Tieleman
Biochemistry 54 (38), 5989-5998, 2015
252015
The dynamic binding of cholesterol to the multiple sites of C99: as revealed by coarse-grained and all-atom simulations
CD Li, Q Xu, RX Gu, J Qu, DQ Wei
Physical Chemistry Chemical Physics 19 (5), 3845-3856, 2017
182017
Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657)
TS Ulaganathan, R Shi, D Yao, RX Gu, ML Garron, M Cherney, ...
Glycobiology 27 (2), 176-187, 2017
152017
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Articles 1–20