Publications by authors named "Ruo-Xu Gu"

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NOMPC ion channel hinge forms a gating spring that initiates mechanosensation.
Philip Hehlert, Thomas Effertz, Ruo-Xu Gu, Björn Nadrowski, Bart R H Geurten

Nat Neurosci· February 2025

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Anchorage of bacterial effector at plasma membrane via selective phosphatidic acid binding to modulate host cell signaling.
Meng Wang, Qixiao Guan, Chunyan Wang, Lyubin Hu, Xueyan Hu, Ruo-Xu Gu

PLoS Pathog· November 2024

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Engineering of the start condensation domain with improved N-decanoyl catalytic activity for daptomycin biosynthesis.
Wenjie Fan, Lyubin Hu, Yu Yang, Panpan Liu, Yan Feng, Ruo-Xu Gu

Biotechnol J· June 2024

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Early Aggregation Mechanism of SOD1 Based on Force Field Parameter of 5-Cyano-Tryptophan.
Mueed Ur Rahman, Saira Bano, Xiaokun Hong, Ruo-Xu Gu, Hai-Feng Chen

J Chem Inf Model· May 2024

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Proteomics-based vaccine targets annotation and design of subunit and mRNA-based vaccines for Monkeypox virus (MPXV) against the recent outbreak.
Yifan Jin, Addeela Fayyaz, Ayesha Liaqat, Abbas Khan, Abdulrahman Alshammari, Ruo-Xu Gu

Comput Biol Med· June 2023

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Central cavity dehydration as a gating mechanism of potassium channels.
Ruo-Xu Gu, Bert L de Groot

Nat Commun· April 2023

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Visualization of the mechanosensitive ion channel MscS under membrane tension.
Yixiao Zhang, Csaba Daday, Ruo-Xu Gu, Charles D Cox, Boris Martinac

Nature· February 2021

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Editorial: Computational Approaches in Drug Discovery and Precision Medicine.
Zunnan Huang, Xiao Jun Yao, Ruo-Xu Gu

Front Chem· February 2021

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Lipid-protein interactions modulate the conformational equilibrium of a potassium channel.
Ruo-Xu Gu, Bert L de Groot

Nat Commun· May 2020

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Development and Application of Computational Methods in Biology and Medicine.
Zunnan Huang, Ruo-Xu Gu

Curr Med Chem· February 2020

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Phase Separation in Atomistic Simulations of Model Membranes.
Ruo-Xu Gu, Svetlana Baoukina, D Peter Tieleman

J Am Chem Soc· February 2020

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Cholesterol Flip-Flop in Heterogeneous Membranes.
Ruo-Xu Gu, Svetlana Baoukina, D Peter Tieleman

J Chem Theory Comput· March 2019

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Regulation of Shigella Effector Kinase OspG through Modulation of Its Dynamic Properties.
Andrey M Grishin, Kathryn R Barber, Ruo-Xu Gu, D Peter Tieleman, Gary S Shaw

J Mol Biol· July 2018

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Lipid-Protein Interactions Are Unique Fingerprints for Membrane Proteins.
Valentina Corradi, Eduardo Mendez-Villuendas, Helgi I Ingólfsson, Ruo-Xu Gu, Iwona Siuda, Gurpreet Singh

ACS Cent Sci· June 2018

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Structure of Transmembrane Helix 8 and Possible Membrane Defects in CFTR.
Valentina Corradi, Ruo-Xu Gu, Paola Vergani, D Peter Tieleman

Biophys J· April 2018

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Coarse-grained molecular dynamics simulations reveal lipid access pathways in P-glycoprotein.
Estefania Barreto-Ojeda, Valentina Corradi, Ruo-Xu Gu, D Peter Tieleman

J Gen Physiol· March 2018

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Inhibition of β-Amyloid Channels with a Drug Candidate wgx-50 Revealed by Molecular Dynamics Simulations.
Shuang Hou, Ruo-Xu Gu, Dong-Qing Wei

J Chem Inf Model· November 2017

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Ganglioside-Lipid and Ganglioside-Protein Interactions Revealed by Coarse-Grained and Atomistic Molecular Dynamics Simulations.
Ruo-Xu Gu, Helgi I Ingólfsson, Alex H de Vries, Siewert J Marrink, D Peter Tieleman

J Phys Chem B· April 2017

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The dynamic binding of cholesterol to the multiple sites of C99: as revealed by coarse-grained and all-atom simulations.
Cheng-Dong Li, Qin Xu, Ruo-Xu Gu, Jing Qu, Dong-Qing Wei

Phys Chem Chem Phys· February 2017

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Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
ThirumalaiSelvi Ulaganathan, Rong Shi, Deqiang Yao, Ruo-Xu Gu, Marie-Line Garron, Guoyun Li

Glycobiology· January 2017

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Conformational Changes of the Antibacterial Peptide ATP Binding Cassette Transporter McjD Revealed by Molecular Dynamics Simulations.
Ruo-Xu Gu, Valentina Corradi, Gurpreet Singh, Hassanul G Choudhury, Konstantinos Beis

Biochemistry· September 2015

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Destabilization of Alzheimer's Aβ42 Protofibrils with a Novel Drug Candidate wgx-50 by Molecular Dynamics Simulations.
Huai-Meng Fan, Ruo-Xu Gu, Yan-Jing Wang, Yun-Long Pi, Yong-Hong Zhang

J Phys Chem B· August 2015

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Structural and energetic analysis of drug inhibition of the influenza A M2 proton channel.
Ruo-Xu Gu, Limin Angela Liu, Dong-Qing Wei

Trends Pharmacol Sci· October 2013

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Structural comparison of the wild-type and drug-resistant mutants of the influenza A M2 proton channel by molecular dynamics simulations.
Ruo-Xu Gu, Limin Angela Liu, Yong-Hua Wang, Qin Xu, Dong-Qing Wei

J Phys Chem B· May 2013

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Virtual screening for alpha7 nicotinic acetylcholine receptor for treatment of Alzheimer's disease.
Shi-Gao Chen, Ruo-Xu Gu, Hao Dai, Dong-Qing Wei

J Mol Graph Model· February 2013

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