2016
1. Zhonghe Xu, Shuang Zhang, Jeffrey K. Weber, Binquan Luan, Ruhong Zhou, and Jingyuan Li*, “Sequential protein unfolding through a carbon nanotube pore”, Nanoscale (2016) 8, 12143-12151 (Cover Article)
2. Lina Zhao, Jiao Zhai, Xuejie Zhang, Xueyun Gao*, Xiaohong Fang and Jingyuan Li*, “Computational design of peptide-Au cluster probe for sensitive detection of αIIbβ3 integrin”, Nanoscale (2016) 8, 4203-4208
3. Zanyong Zhuang, Xinwen Ou, Jingyuan Li*, Yuan Zhou, Zhihong Zhang, Shengfa Dong, and Zhang Lin*, “Interfacial Engineering Improved the Selective Extraction of Uranyl from Saline Water by Nano-Mg(OH)2 and the Underlying Mechanism”, ACS Sustainable Chem. Eng. (2016) 4, 801-809
4. Qingming Deng, Jun Pan, Xiaohui Yin, Xiaofeng Wang, Lina Zhao*, Seung-gu Kang, Camilo A. Jimenez-Cruz, Ruhong Zhou, and Jingyuan Li*, “Toward High Permeability, Selectivity and Controllability of Water Desalination with FePc Nanopores”, Phys. Chem. Chem. Phys. (2016) 18, 8140-8147
5. Xinwen Ou, Zanyong Zhuang, Jingyuan Li*, Feng Huang and Zhang Lin*, “Mechanism of Adsorption Affinity and Capacity of Mg(OH)2 to Uranyl Revealed by Molecular Dynamics Simulation”, RSC Advance (2016) 6, 31507-31513
6. Jianzhuo Zhu, Xinwen Ou, Jiguo Su*, and Jingyuan Li*, “The impacts of surface polarity on the solubility of nanoparticle”, J. Chem. Phys. (2016) 145, 044504 (1-6)
7. Su Ji-Guo, Zhao Shu-Xin, Wang Xiao-Feng, Li Chun-Hua*, Li Jing-Yuan*, “Effects of ligand binding on the mechanical stability of protein GB1 studied by steered molecular dynamics simulation”, J. Mol. Model. (2016) 22, 188 (1-9)
8. Binquan Luan*, Tien Huynh, Jingyuan Li, and Ruhong Zhou*, “Nanomechanics of Protein Unfolding Outside a Generic Nanopore”, ACS Nano (2016) 10, 317-323
9. Zhao, Zhengyi; Zhang, Hui; Shu, Dan; Montemagno, Carlo; Ding, Baoquan; Li, Jingyuan; Guo, Peixuan*, “Construction of Asymmetrical Hexameric Biomimetic Motors with Continuous Single-Directional Motion by Sequential Coordination”, Small (2016) DOI: 10.1002/smll.201601600
10. Zhao, Zhengyi; De-Donatis, Gian Marco; Schwartz, Chad; Fang, Huaming; Li, Jingyuan; Guo, Peixuan*, “An Arginine Finger Regulates the Sequential Action of Asymmetrical Hexameric ATPase in the Double-Stranded DNA Translocation Motor”, Mol. Cell. Biol. (2016) 36, 2514-2523
11. Binzel, Daniel W., Khisamutdinov, Emil, Vieweger, Mario, Ortega, Janice, Li, Jingyuan, Guo, Peixuan*, “Mechanism of three-component collision to produce ultrastable pRNA three-way junction of Phi29 DNA-packaging motor by kinetic assessment”, RNA (2016) 22, 1710-1718
12. Xiao, Han, Zhang, Jianshu, Xu, Zhonghe, Feng, Yenan, Zhang, Mingliang, Liu, Jianli, Chen, Ruifei, Shen, Jing, Wu, Jimin, Lu, Zhizhen, Fang, Xiaohong, Li, Jingyuan, Zhang, Youyi*, “Metformin is a novel suppressor for transforming growth factor (TGF)-beta 1”, Sci. Rep. (2016) 6, 28597 (1-9)
13. Liu, Jianli, Zhang, Xuejie, Wang, Xiaofeng, Xu, Li, Li, Jingyuan, Fang, Xiaohong*, “Single-molecule force spectroscopy study of the effect of cigarette carcinogens on thrombomodulin-thrombin interaction”, Sci. Bull. (2016) 61, 1187-1194
14. Liu Lei, Qiang Li, Shuai Zhang, Wang Xiaofeng, Søren Vrønning Hoffmann, Jingyuan, Li, Zheng Liu, Flemming Besenbacher*, Mingdong Dong*, “Protein Structures: Identification of a Novel Parallel β-Strand Conformation within Molecular Monolayer of Amyloid Peptide”, Advanced Science (2016) 3, 1500369 (1-10)

 

2015
1. Deyi An, Jiguo Su, Jeffrey K. Weber, Xueyun Gao, Ruhong Zhou*, Jingyuan Li*, “A Peptide-Coated Gold Nanocluster Exhibits Unique Behavior in Protein Activity Inhibition”, J. Am. Chem. Soc. (2015) 137, 8412-8418
2. Xiaofeng Wang, Jeffrey K. Weber, Lei Liu, Mingdong Dong, Ruhong Zhou*, Jingyuan Li*, “A novel form of β-strand assembly observed in Aβ33–42 adsorbed onto graphene”, Nanoscale (2015) 7, 15341-15348
3. Cuiji Sun, Yi Yuan, Zhonghe Xu, Tianjiao Ji, Yanhua Tian, Shan Wu, Jianlin Lei, Jingyuan Li*, Ning Gao*, Guangjun Nie*, “Fine-Tuned H‑Ferritin Nanocage with Multiple Gold Clusters as Near Infrared Kidney Specific Targeting Nanoprobe” Bioconjugate Chemistry (2015) 26, 193-196
4. Shuang Zhang, Xiaofeng Wang, Tang Li, Lei Liu, Hai-Chen Wu, Mengbo Luo*, Jingyuan Li*, “Sensitive Detection of a Modified Base in Single-Stranded DNA by a Single-Walled Carbon Nanotube”, Langmuir (2015) 31, 10094-10099
5. An De-Yi, Su Ji-Guo, Li Chun-Hua*, and Li Jing-Yuan*, “Computational studies on the interactions of nanomaterials with proteins and their impacts”, Chin. Phys. B (2015) 24, 120504
6. Yuanyuan Li, Xiao He,* Jun-Jie Yin, Yuhui Ma, Peng Zhang, Jingyuan Li, Yayun Ding, Jing Zhang, Yuliang Zhao, Zhifang Chai, and Zhiyong Zhang*, “Acquired Superoxide-Scavenging Ability of Ceria Nanoparticles” Angew. Chime. (2015) 127, 1852-1855

 

2014
1. Fu-Ping Gao, Yao-Xin Lin, Li-Li Li, Ya Liu, Ulrich Mayerhöffer, Peter Spenst, Ji-Guo Su, Jing-Yuan Li*, Frank Würthner*, Hao Wang*, “Supramolecular adducts of squaraine and protein for noninvasive tumor imaging and photothermal therapy in vivo” Biomaterials (2014) 35, 1004-1014
2. Jian Gao, Liming Wang, Seung-gu Kang, Lina Zhao, Mingjuan Ji*, Chunying Chen, Yuliang Zhao, Ruhong Zhou, and Jingyuan Li*, “Size-dependent impact of CNTs on dynamic properties of calmodulin” Nanoscale (2014) 6, 12828-12837
3. Di Zhang, Zhonghe Xu, Jia Yuan, Ying-Xi Zhao, Zeng-Ying Qiao, Yu-Juan Gao, Guang-Ao Yu*, Jingyuan Li*, Hao Wang*, “Synthesis and Molecular Recognition Studies on Small-Molecule Inhibitors for Thioredoxin Reductase”, J. Med. Chem. (2014) 57, 8132-8139
4. Jingyuan Li*, Xiaofeng Wang, Lina Zhao, Xingfa Gao, Yuliang Zhao*, Ruhong Zhou*, “Rotation Motion of Designed Nano-Turbine” Scientific Report (2014) 4, 5846 (1-8)
5. Xinwen Ou, Jingyuan Li*, Zhang Lin*, “Dynamic Behavior of Interfacial Water on Mg(OH)2(001) Surface: A Molecular Dynamics Simulation Work” J. Phys. Chem. C (2014) 118, 29887-29895
6. Yan Song, Mingyi Zhang, Lina Zhao, Xiaohui Yin, Jiaohui Zhao, Juan Li, Rui He, Yanan Chang, Junjiang Jin, Yuliang Zhao*, Jingyuan Li*, Gengmei Xing*, “Regulation on mechanical properties of collagen: Enhanced bioactivitis of metallofullerenol” Nanomed.-Nanotechnol. (2014) 10, 783-793
7. Jie Song, Qiang Li, Xiaofeng Wang, Jingyuan Li, Shuai Zhang, Jørgen Kjems, Flemming Besenbacher*, Mingdong Dong*, “Evidence of Stranski–Krastanov growth at the initial stage of atmospheric water condensation” Nature Comm. (2014) 5, 4837
8. Ru Liu, Yaling Wang, Qing Yuan, Deyi An, Jingyuan Li and Xueyun Gao*, “The Au clusters induce tumor cell apoptosis via specifically targeting thioredoxin reductase 1 (TrxR1) and suppressing its activity” Chem. Comm. (2014) 50, 10687-10690

 

2013
1. Liming Wang†, Jingyuan Li†, Jun Pan, Xiumei Jiang, Yinglu Ji, Yufeng Li, Ying Qu, Yuliang Zhao, Xiaochun Wu*, Chunying Chen*, “Revealing the Binding Structure of the Protein Corona on Gold Nanorods Using Synchrotron Radiation-Based Techniques: Understanding the Reduced Damage in Cell Membranes”, J. Am. Chem. Soc. (2013) 135, 17359-17368 (并列第一作者,负责理论计算部分)
2. Xiaohui Yin, Lina Zhao, Seung-gu Kang, Jun Pan, Yan Song, Mingyi Zhang, Gengmei Xing, Fei Wang, Jingyuan Li*, Ruhong Zhou*, Yuliang Zhao*, “Impacts of Fullerene Derivatives to Regulate the Structure and Assembly of Collagen Molecules”, Nanoscale (2013) 5, 7341-7348
3. Lei Liu, Chun Yang, Kai Zhao, Jingyuan Li, Hai-Chen Wu*, “Ultrashort single-walled carbon nanotubes in a lipid bilayer as a new nanopore sensor”, Nature Commun. (2013) 4, 2989
4. Mirkó Palla, Chien-Pin Chen, Yuan Zhang, Jingyuan Li, Jingyue Ju and Jung-Chi Liao, “Mechanism of flexibility control for ATP access of hepatitis C virus NS3 helicase”, J. Biomol. Struct. Dyn. (2013) 31, 129-141
5. Fengxian Zheng, Jun Pan, Xiaohui Yin, Jingyuan Li, Fei Wang, Lina Zhao*, “Simulation Study on Gold Nanoparticle-Cellular Membrane Complex in Endocytosis Process”, J. Nanosci. Nanotechnol. (2013) 13, 3990-3998
6. Xiaoyan Zhou, Chunlei Wang, Fengmin Wu, Mei Feng, Jingyuan Li, Hangjun Lu*, Ruhong Zhou*, “The ice-like water monolayer near the wall makes inner water shells diffuse faster inside a charged nanotube”, J. Chem. Phys. (2013) 138, 204710

 

2011-2012
1. Jingyuan Li, Joseph A. Morrone, and B. J. Berne, “Are Hydrodynamic interactions important in the kinetics of hydrophobic collapse?” J. Phys. Chem. B (2012) 116, 11537-11544
2. Xiaofeng Wang, Motao Zhu, Jingyuan Li*, “Biomedical Effects and Nanosafety of Engineered Nanomaterials: Recent Progress”, Chin. J. Chem. (2012) 30, 1931-1947
3. Joseph A. Morrone, Jingyuan Li, and B. J. Berne, “Interplay between Hydrodynamics and the Free Energy Surface in the Assembly of Nanoscale Hydrophobes”, J. Phys. Chem. B (2012) 116, 378-389
4. Huailiang Du, Jingyuan Li, Jing Zhang, Gang Su, Xiaoyi Li, and Yuliang Zhao, “Separation of Hydrogen and Nitrogen Gases with Porous Graphene Membrane”, J. Phys. Chem. C (2011) 115, 23261-23266
5. Ruhong Zhou*, Jingyuan Li, Lan Hua, Zaixing Yang, and B. J. Berne* “Comment on ‘Urea-Mediated Protein Denaturation: A Consensus View’”, J. Phys. Chem. B (2011) 115, 1323-1328

 

2009-2010
1. Jingyuan Li, Julio M. Fernandez, and Bruce Berne, “Water’s Role in the Force-Induced Unfolding of Ubiquitin”, Proc. Natl. Acad. Sci. USA (2010) 107, 19284-19289 (IF: 9.7)
2. Jingyuan Li, Payel Das, and Ruhong Zhou, “Single Mutation Effects on Conformational Change and Membrane Deformation of Influenza Hemagglutinin Fusion Peptide”, J. Phys. Chem. B(2010) 114, 8799-8806
3. Raul Perez-Jimenez, Jingyuan Li, Pallav Kosuri, Inmaculada Sanchez-Romero, Arun P. Wiita, David Rodriguez-Larrea, Ana Chueca, Arne Holmgren, Antonio Miranda-Vizuete, Katja Becker, Seung-Hyun Cho, Jon Beckwith, Eric Gelhaye, Jean Pierre Jacquot, Eric Gaucher, Jose M. Sanchez-Ruiz, Bruce J. Berne, and Julio M. Fernandez, “Diversity of chemical mechanisms in Thioredoxin catalysis revealed by single-molecular force spectroscopy”, Nature Struct. Biol. (2009) 16, 890-896
4. Lorna Dougan, Jingyuan Li, Carmen L. Badilla, Bruce J. Berne, and Julio M. Fernandez, “Single homopolypeptide chains collapse into mechanically rigid conformations”, Proc. Natl. Acad. Sci. USA. (2009) 106, 12605-12610
5. Tzu-ling Kuo, Sergi Garcia-Manyes, Jingyuan Li, Itay Barel, Hui Lu, Bruce Berne, Michael Urbakh, Joseph Klafter, and Julio M. Fernandez “Probing static disorder in Arrhenius kinetics by single- molecule force spectroscopy” Proc. Natl. Acad. Sci. USA. (2010) 107, 11336-11340
6. Payel Das, Jingyuan Li, Ajay K. Royyuru, and Ruhong Zhou, “Free energy simulations reveal a double mutant avian H5N1 Virus Hemagglutinin with altered receptor binding specificity”, J. Comp. Chem. (2009) 30, 1654-1663
7. Rongzheng Wan, Hangjun Lu, Jingyuan Li, Jingdong Bao, Jun Hu, and Haiping Fang, “Concerted orientation induced unidirectional water transport through nanochannels”, Phys. Chem. Chem. Phys. (2009) 11, 9898-9902


2005-2008
1. Xiaojing Gong, Jingyuan Li, He Zhang, Rongzheng Wan, Hangjun Lu, Shen Wang, Haiping Fang, “Enhancement of water permeation across a nanochannel by the structure outside the channel”, Phys. Rev. Lett. (2008) 101, 257801(1-4)
2. Hangjun Lu, Jingyuan Li, Xiaojing Gong, Rongzheng Wan, Li Zeng, and Haiping Fang, “Water permeation and wavelike density distributions inside narrow nanochannels”, Phys. Rev. B (2008) 77, 174115(1-8)
3. Chunlei Wang, Zhaoxia Li, Jingyuan Li, Peng Xiu, Jun Hu, Haiping Fang, “High density gas state at water/graphite interface studied by molecular dynamics simulation”, Chin. Phys. B (2008) 17, 2646-2654
4. Xiaojing Gong, Jingyuan Li, Hangjun Lu, Rongzheng Wan, Jichen Li, Jun Hu, and Haiping Fang, “A charge-driven molecular water pump”, Nature Nanotechnology, (2007) 2, 709-712
5. Jingyuan Li, Zaixing Yang, Haiping Fang, Ruhong Zhou, and Xiaowei Tang, “Effect of the Carbon-Nanotube length on water permeability”, Chin. Phys. Lett., (2007) 24, 2710-2713
6. Ding Li, Qinfeng Di, Jingyuan Li, Yuehong Qian, Haiping Fang, “Large slip length over a nanopatterned surface” Chin. Phs. Lett. (2007) 24, 1020-1024
7. Jingyuan Li, Xiaojing Gong, Hangjun Lu, Ding Li, Haiping Fang, and Ruhong Zhou, “Electrostatic gating of a nanometer water channel”, Proc. Natl. Acad. Sci. USA, (2007) 104, 3687-3692
8. Xin Li, Jingyuan Li, Maria Eleftheriou, and Ruhong Zhou, “Hydration and Dewetting near Fluorinated Superhydrophobic Plates”, J. Am. Chem. Soc., (2006) 128, 12439-12447
9. Ting Liu, Lei Ye, Huajun Chen, Jingyuan Li, Zhaohui Wu, and Ruhong Zhou, “A Combined Steepest Descent and Genetic Algorithm (SD/GA) Approach for the Optimization of Solvation Parameters”, Mol. Simulat., (2006) 32, 427-435
10. Lei Ye, Huajun Chen, Ting Liu, Zhaohui Wu, Jingyuan Li, and Ruhong Zhou, “A Wavelet Approach for the Analysis of Folding Trajectory of Protein Trp-cage”, J. Bioinform. Comput. Biol., (2006) 3, 1351-1370
11. Jingyuan Li, Ting Liu, Xin Li, Lei Ye, Huajun Chen, Haiping Fang, Zhaohui Wu, and Ruhong Zhou, “Hydration and Dewetting near Graphite-CH3 and Graphite-COOH Plates”, J. Phys. Chem. B, (2005) 109, 13639-13648
12. Rongzheng Wan, Jingyuan Li, Hangjun Lu, and Haiping Fang, “Controllable Water Channel Gating of Nanometer Dimensions”, J. Am. Chem. Soc., (2005) 1287 7166-7170