Qinglu Zhong, Kevin C. Chan, Lei Fu, Ruhong Zhou*. A free energy perturbation-assisted machine learningstrategy for mimotope screening in neoantigen-basedvaccine design. Briefings in Bioinformatics, 2025, 26(4),bbaf254.
Zifan Ye,¶ Lei Fu,¶ Shuangyu Li, Ziying Chen, Jianhong Ouyang, Lianghui Gao,*, Yipeng Wang* Synergistic antibacterial effects between antimicrobial peptides and cationic peptides are a widespread immune defense strategy in animals. Nature Communications. 2024, 15:7319. (contributed equally as first author) IF=17.69
Qianqian Zhuang,¶ Fengfeng Guo,¶ Lei Fu,¶ Tilo Kunath, Ruhong Zhou*, Ping Liang*, Zhong Liu*, Qingfeng Yan*. 1-Deoxynojirimycin as a potential mitochondrial rescue agent for maternally inherited hypertrophic cardiomyopathy. Journal of Clinical Investigation, 2023, 133:e164660. (contributed equally as first author)IF=19.456
Jianqiang Mu,¶ Chenyang Xue,¶ Lei Fu,¶ Mengqi Wu, Xinmeng Chen,Kun Liu, Ruiqian Bu1, Ying Huang, Baisheng Yang, Jianming Han, Qianru Jiang, Zongjun Yu, Chun Chan, Ruhong Zhou, Ancheng Huang, Yong Wang, Zhongmin Liu*. Conformational cycle of human polyamine transporter ATP13A2. Nature Communications. 2023, 14:1978. (contributed equally as first author) IF=17.69
Xiangyuan Li,¶ Lei Fu,¶ Shan Zhang, Yipeng Wang, Lianghui Gao*. How Alligator Immune Peptides Kill Gram-Negative Bacteria: A Lipid-Scrambling, Squeezing, and Extracting Mechanism Revealed by Theoretical Simulations. International Journal of Molecular Sciences. 2023, 24:10962. (contributed equally as first author)
Lei Fu, Xiangyuan Li, ShanZhang, Yi Dong, Weihai Fang, and Lianghui Gao*. Polymyxins Induce Lipid Scrambling and Disrupt the Homeostasis of Gram-Negative Bacteria Membrane. Biophysical J. 2022, 121:1-13.
Minghui Zhang¶,Jianhong Ouyang¶,Lei Fu¶, Fen Zhang, Yan Wang, Xuanjin Luo, Dengdeng Zhang, Lianghui Gao,*Yipeng Wang*. Hydrophobicity determines the antimicrobial rate of amphipathicα-helical antimicrobial peptides. Journal of Medicinal Chemistry. 2022, 65:14701-14720. (contributed equally as first author) IF=8.42
Lei Fu, Mingwei Wan, ShanZhang, Lianghui Gao,* and Weihai Fang. Polymyxin B Loosens Lipopolysaccharide Bilayer but Stiffens Phospholipid Bilayer. Biophysical J. 2020, 118:1-13.
Linlin Li¶, Rongxi Wang¶, Li He¶, Hua Guo, Lei Fu, Guochang Wang, Jiarou Wang, Ziying Chen, Xingtong Peng, Xinyu Lu, Huimin Sui, Yuanyuan Jiang, Jie Zang*, Lianghui Gao*, and Zhaohui Zhu*. Evaluation of Angiotensin-Converting Enzyme 2 Expression In Vivo with Novel 68Ga-Labeled Peptides Originated from the Coronavirus Receptor-Binding Domain. ACS Pharmacology & Translational Science 2024, 7, 3119−3130.
Xiangyuan Li, Lei Fu, Shan Zhang, Yi Dong, and Lianghui Gao*. Relationship between Protein-Induced Membrane Curvature and Membrane Thermal Undulation. The Journal of Physical Chemistry B. 2024, 128:515-525.
Junjie Song, Lei Fu, Hong Li, Yue Su, Qiong Wang, Guiqiu Zhang,* and Jin Wang*. Equivalent and Complement of the ω-Bonding Model and Charge-Shift Bonding Model: A Natural Bond Orbital/Natural Resonance Theory/Atoms in Molecules Investigation via Cu/Ag/Au Bonding in BMX (B = H2O, H2S, NH3, and PH3; M = Cu, Ag, and Au; and X = F, Cl, Br, and I). The Journal of Physical Chemistry Letters.2023, 14:5226-5233.
Yi Dong, Lei Fu, Junjie Song, Shan Zhang, Xiangyuan Li, Weihai Fang, Qiang Cui,* and Lianghui Gao*. Thermodynamic Driving Forces for Divalent Cations Binding to Zwitterionic Phospholipid Membranes. The Journal of Physical Chemistry Letters.2022, 13:11237−11244.
Xuanjin Luo,¶ Jianhong Ouyang,¶ Yan Wang,¶ Minghui Zhang,Lei Fu, Ning Xiao, Lianghui Gao, Jiang Zhou*, Yipeng Wang*The first anionic cathelicidin lacking direct antimicrobial activity but with potent anti-inflammatory and wound healing activities from salamander, Tylototriton kweichowensis.Biochimie. 2021, 191:37.
Shan Zhang, Ming Ma, Zhuang Shao, Jincheng Zhang, Lei Fu, Xiangyuan Li, Weihai Fang, and Lianghui Gao*. Structure and Formation Mechanism of Antimicrobial Peptides Temporin B- and L-Induced Tubular Membrane Protrusion. International journal of Molecular Sciences.2021, 22:11015.
Guiqiu Zhang,*Yue Su, Xiaoran Zou, Lei Fu, Junjie Song, Dezhan Chen and Chuanzhi Sun*. Charge-Shift Bonding in Xenon Hydrides: An NBO/NRT Investigation on HXeY···HX (Y = Cl, Br, I; X = OH,Cl, Br, I, CCH, CN) via H-Xe Blue-Shift Phenomena.Frontiers in Chemistry. 2020, 8:277.
ShanZhang, Lei Fu, Mingwei Wan, Junjie Song, Lianghui Gao,* and Weihai Fang. Peripheral Antimicrobial Peptide Gomesin Induces Membrane Protrusion, Folding, and Laceration. Langmuir.2019, 35:13233-13242.
Yu Shi, Mingwei Wan, Lei Fu, Shan Zhang, Shiyuan Wang, Lianghui Gao,* and Weihai Fang. Peptide-Lipid Interaction Sites Affect Vesicles’ Responses to Antimicrobial Peptides. Biophysical Journal.2018, 115:1518-1529.
Guiqiu Zhang,* Junjie Song, Lei Fu, Kongshuang Tang, Yue Su and Dezhan Chen. Understanding and modulating the high-energy properties of noble-gas hydrides from their long-bonding:an NBO/NRT investigation on HNgCO+/CS+/OSi+ and HNgCN/NC (Ng = He, Ar, Kr, Xe, Rn) molecules. Physical Chemistry Chemical Physics. 2018, 20:10231-10239.
Guiqiu Zhang,* Lei Fu, Hong Li, XuchanFan and Dezhan Chen, Insight into the Bonding Mechanism and the Bonding Covalency in Noble Gas-Noble Metal Halides: An NBO/NRT Investigation. The Journal of Physical Chemistry A. 2017, 121:5183–5189.
Guiqiu Zhang,*HuiWang, Huanjing Yue, Hong Li, Shengnan Zhang, and Lei Fu. Ligand effects due to resonance character in LAuCCH−(L=F, Cl,Br, I, CCH) complexes: an NBO/NRT analysis. Journal of Molecular Modeling. 2015, 21: 159.
