1.Tang DY, Chen ZZ, Hu JP*, Sun GF, Lu SZ, Hu CW. CO oxidation catalyzed by silver nanoclusters: mechanism and effects of charge. Physical Chemistry Chemical Physics. 2012, 14, 12829-12837. (中科院2区top期刊，IF: 3.945)
2.Wan H, Chang S*, Hu JP, Tian YX, Tian XH*. Molecular Dynamics Simulations of Ternary Complexes: Comparisons of LEAFY Protein Binding to Different DNA Motifs. Journal of Chemical Information and Modeling. 2015, 55, 784-794. (药学1区，IF: 6.162)
3.Hu JP, Feng ZW, Ma SF, Zhang Y, Tong Q, Alqarni MH, Gou XJ, Xie XQ*. Difference and influence of inactive and active states of cannabinoid receptor subtype CB2: from conformation to drug discovery. Journal of Chemical Information and Modeling. 2016, 56: 1152-1163. (药学1区，IF: 6.162)
4.Zuo K, Liang L, Du W Y, Sun X, Liu W, Gou X J*, Wan H, Hu J P*. 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation of Pseudomonas aeruginosa LpxC Inhibitors. International Journal of Molecular Sciences. 2017. 18(5), 761-779. (中科院2区top期刊，IF: 6.208)
5.Sun X, Yan X, Zhuo W, Gu J K, Zuo K, Liu W, Liang L, Gan Y, He G, Wan H, Gou XJ*, Shi HB, Hu J P*. PD-L1 nanobody competitively inhibits the formation of the PD-1/PD-L1 complex: Comparative molecular dynamics simulations. International Journal of Molecular Sciences. 2018. 19, 1984-2006. (中科院2区top期刊，IF: 6.208)
6.Luo YF, Chen ZZ, Hu JP*, Xu ZG, Meng QX, Tang DY*. Small substituent groups as the geometric controllers for tridentate platinum (II) complexes to effectively suppress non-radiative decay process. Physical Chemistry Chemical Physics. 2019, 21: 2764-2770. (中科院2区top期刊，IF: 3.945)
7.Liu XW, Feng YL, Xu GC, Chen Y, Luo Y, Song J N, Bao Y, Yang JQ, Yu CN, Li YN, Ye HY, Ke BW, Chen B, Hu JP, Xu J, Meng H, Zhang HY, Shi HB*. MAPK-targeted drug delivered by a pH sensitive MSNP nanocarrier synergizes with PD-1 blockade in melanoma without T-cell suppression. Advanced Functional Materials. 2019, 29(12): 1806916 (中科院1区, IF=19.925)
8.Xie T#, Wu ZX#, Gu JK, Guo RY, Yan X, Duan HC, Liu XY, Liu W, Liang L, Wan H, Luo YF, Tang DY, Shi HB*, Hu JP*. The global motion affecting electron transfer of Plasmodium falciparum type II NADH dehydrogenases: a novel non-competitive mechanism of quinoline ketone derivative inhibitors. Physical Chemistry Chemical Physics. 2019, 21: 18105-18118. (中科院2区top期刊，IF: 3.945)
9.Zuo K, Qi YY, Yuan C, Jiang LG, Xu P*, Hu JP*, Huang MD*, Li JY*. Specifically targeting cancer proliferation and metastasis processes: the development of matriptase inhibitors. Cancer and Metastasis Reviews. 2019, 38: 507-527. (邀请论文，IF: 9.237)
10.Yan X#, Luo YF#, Liu W, Liang L, Gan Y, Chen ZZ, Xu ZG, Wan H, Tang DY*, Shi HB*, Hu JP*. Strategy used to synthesize high activity and low Pd catalyst for Suzuki coupling reaction: an experimental and theoretical investigation. Physical Chemistry Chemical Physics. 2020, 22: 6222-6230. (中科院2区top期刊，IF: 3.945)
11.Wu ZX#, Peng LX#, Hu YC, Xie T, Yan HL, Wan H, Liu W, Liang L, Xie ZJ, Liu KP, Shi HB*, Zhao G*, Hu J P*. BP[dG]-induced distortions to DNA polymerase and DNA duplex: A detailed mechanism of BP adducts blocking replication. Food and Chemical Toxicology. 2020, 140: 111325. (中科院2区top期刊，IF: 5.572)
12.Luo YF#, Huang Z#, Chen ZZ, Xu ZG, Hu JP*, Meng QX, Tang DY*. Phosphine ligand-coated Cu nanoparticle-catalyzed selective semihydrogenation of alkynes: electronic or hindrance effects of the ligand?. Physical Chemistry Chemical Physics. 2020, 22: 16905-16913. (中科院2区top期刊，IF: 3.945)
13.Kong R*, Yang GB, Xue R, Liu M, Wang F, Hu JP, Guo XQ, Chang S*. COVID-19 docking server: a meta server for docking small molecules, peptides and antibodies against potential targets of COVID-19. Bioinformatics, 2020, 36(20): 5109–5111. (高被引论文，IF: 6.931)
14.Wang C, Xiao QJ, Duan HC, Li JH, Zhang JY, Wang QS, Guo L, Hu JP*, Sun B*, Deng D*, Molecular basis for substrate recognition by the bacterial nucleoside transporter NupG, Journal of Biological Chemistry, 2021, 296: 100479 (中科院2区top期刊，IF: 5.485)
15.Liu XW, Feng YL, Xu J, Shi Y, Yang JQ, Zhang RJ, Song JN, Bai X, Wu X, Bao Y, Luo Y, Li HF, Chai L, Gong CY, Wang Y, Chen B, Hu JP, Fu Y, Luo YZ, Zhang HY, Shi HB*. Combination of MAPK inhibition with photothermal therapy synergistically augments the anti-tumor efficacy of immune checkpoint blockade. Journal of Controlled Release, 2021, 332: 194-209. (中科院1区，IF: 11.467)
16.Duan HC, Zhou YX, Shi XD, Luo Q, Gao JX, Liang L, Liu W, Peng LX, Deng D*, Hu JP*. Allosteric and transport modulation of human concentrative nucleoside transporter 3 at the atomic scale. Physical Chemistry Chemical Physics. 2021, 23: 25401-25413. (中科院2区top期刊，IF: 3.945)
17.Zhuge XL, Xie T, Du X, Zhang XX, Hu JP, Yang HL*. Non-synonymous substitution of evolutionarily conserved residue in Tau class glutathione transferases alters structural and catalytic features. International Journal of Biological Macromolecules. 2022, 197: 39-48. (中科院1区，IF: 8.025)
18.Duan HC, Hu KX, Zheng D, Cheng Y, Liang L, Hu JP, Luo T*. Recognition and release of uridine and hCNT3: from multivariate interactions to molecular design. International Journal of Biological Macromolecules. 2022, 223: 1562-1577. (中科院1区，IF: 8.025)
19.Zheng D, Li YC, Song LL, Xu TY, Jiang X, Yin XM, He YB, Xu JS, Ma XL, Chai L, Xu J, Hu JP, Mi P, Jing J, Shi HB*. Improvement of radiotherapy with an ozone-carried liposome nano-system for synergizing cancer immune checkpoint blockade. Nano Today, 2022, 47: 101675. (中科院1区，IF: 18.962)
20.Liu XW, Song JN, Zhang H, Liu XY, Zuo FL, Zhao YN, Zhao YJ, Yin XM, Guo XY, Wu X, Zhang H, Xu J, Hu JP, Jing J, Ma XL*, Shi HB*. Immune checkpoint HLA-E: CD94-NKG2A mediates evasion of circulating tumor cells from NK cell surveillance. Cancer Cell, 2023, 41, 1–16.（封面文章，中科院1区，IF:38.584）
