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

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

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Visualization of the mechanosensitive ion channel MscS under membrane tension von Zhang, Yixiao, Daday, Csaba, Gu, Ruo-Xu, Cox, Charles D., Martinac, Boris, de Groot, Bert L., Walz, Thomas

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

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

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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 von Jin, Yifan, Fayyaz, Addeela, Liaqat, Ayesha, Khan, Abbas, Alshammari, Abdulrahman, Wang, Yanjing, Gu, Ruo-Xu, Wei, Dong-Qing

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Lipid–Protein Interactions Are Unique Fingerprints for Membrane Proteins von Corradi, Valentina, Mendez-Villuendas, Eduardo, Ingólfsson, Helgi I, Gu, Ruo-Xu, Siuda, Iwona, Melo, Manuel N, Moussatova, Anastassiia, DeGagné, Lucien J, Sejdiu, Besian I, Singh, Gurpreet, Wassenaar, Tsjerk A, Delgado Magnero, Karelia, Marrink, Siewert J, Tieleman, D. Peter

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

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

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

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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 von Gu, Ruo-Xu, Liu, Limin Angela, Wang, Yong-Hua, Xu, Qin, Wei, Dong-Qing

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

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Early Aggregation Mechanism of SOD128–38 Based on Force Field Parameter of 5‑Cyano-Tryptophan von Rahman, Mueed Ur, Bano, Saira, Hong, Xiaokun, Gu, Ruo-Xu, Chen, Hai-Feng

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

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Novel Positive Allosteric Modulators of the Human α7 Nicotinic Acetylcholine Receptor von Arias, Hugo R, Gu, Ruo-Xu, Feuerbach, Dominik, Guo, Bao-Bao, Ye, Yong, Wei, Dong-Qing

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

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

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Anchorage of bacterial effector at plasma membrane via selective phosphatidic acid binding to modulate host cell signaling von Wang, Meng, Guan, Qixiao, Wang, Chunyan, Hu, Lyubin, Hu, Xueyan, Xu, Menglin, Cai, Yuhao, Zhang, Haoran, Cao, Qing, Sheng, Huiming, Wei, Xiaohui, Koehler, Jane E, Dou, Hongjing, Gu, Ruo-Xu, Yuan, Congli

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

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

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