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International Journal of Molecular Sciences|February 24, 2024
Generating Potential RET-Specific Inhibitors Using a Novel LSTM Encoder-Decoder ModelLu Liu, Xi Zhao, Xuri HuangJournal of Biomolecular Structure & Dynamics|August 4, 2017
Molecular dynamics simulations investigate the mechanism of Psalmotoxin 1 regulating gating process of an acid-sensing ion channel 1a at pH 5.5Hui Yu, Lianjuan Yang, Lu Liu, et al.Journal of Biomolecular Structure & Dynamics|October 27, 2017
Conformational transitions of uracil transporter UraA from Escherichia coli: a molecular simulation studyLiu Yang, Lianjuan Yang, Hui Yu, et al.Journal of Biomolecular Structure & Dynamics|November 11, 2014
Insight into the impact of environments on structure of chimera C3 of human β-defensins 2 and 3 from molecular dynamics simulationsQianqian Li, Hui Yu, Xi Zhao, et al.Molecules (Basel, Switzerland)|October 28, 2023
A Workflow Combining Machine Learning with Molecular Simulations Uncovers Potential Dual-Target Inhibitors against BTK and JAK3Lu Liu, Risong Na, Lianjuan Yang, et al.Journal of Biomolecular Structure & Dynamics|September 4, 2018
Molecular dynamics simulations investigate the pathway of substrate entry active site of rhomboid proteaseHua Zhou, Hui Yu, Xi Zhao, et al.Journal of Biomolecular Structure & Dynamics|December 12, 2023
Inhibition mechanism understanding from molecular dynamics simulation of the interactions between several flavonoids and proton-dependent glucose transporterXianyang Zeng, Risong Na, Lianjuan Yang, et al.Journal of Biomolecular Structure & Dynamics|January 7, 2015
Simulating the antimicrobial mechanism of human β-defensin-3 with coarse-grained molecular dynamicsXi Zhao, Hui Yu, Liu Yang, et al.Archives of Biochemistry and Biophysics|May 29, 2012
Molecular dynamics simulation study of the vanillate transport channel of OpdkYibo Wang, Xi Zhao, Baili Sun, et al.Journal of Biomolecular Structure & Dynamics|June 24, 2020
Investigation of binding modes of spider toxin-human voltage-gated sodium channel subtybe 1.7Shasha Gao, Risong Na, Lianjuan Yang, et al.Pageof 635