| Lipid–protein interactions are unique fingerprints for membrane proteins V Corradi, E Mendez-Villuendas, HI Ingólfsson, RX Gu, I Siuda, MN Melo, ... ACS central science 4 (6), 709-717, 2018 | 261 | 2018 |
| 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 | 96 | 2017 |
| Cholesterol flip-flop in heterogeneous membranes RX Gu, S Baoukina, DP Tieleman Journal of chemical theory and computation 15 (3), 2064-2070, 2019 | 81 | 2019 |
| 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 | 79 | 2021 |
| 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 | 72 | 2015 |
| 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 | 65 | 2009 |
| 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 | 61 | 2011 |
| 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 | 53 | 2020 |
| 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 | 47 | 2013 |
| 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 | 44 | 2011 |
| 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 | 34 | 2010 |
| 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 | 33 | 2017 |
| 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 | 33 | 2013 |
| 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 | 32 | 2018 |
| Lipid-protein interactions modulate the conformational equilibrium of a potassium channel RX Gu, BL de Groot Nature Communications 11 (1), 2162, 2020 | 31 | 2020 |
| 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 | 28 | 2015 |
| 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 | 26 | 2018 |
| 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 | 25 | 2015 |
| 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 | 18 | 2017 |
| 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 | 15 | 2017 |
Dongqing WeiProfessor of Bioinformatics/Computational Physics/Chemistry, Shanghai Jiaotong UniversityVerified email at sjtu.edu.cn
