1. Li M, Lan X, Shi X, Zhu C, Lu X, Pu J, Lu S*, Zhang J*. Delineating the stepwise millisecond allosteric activation mechanism of the class C GPCR dimer mGlu5. Nat Commun. 2024, 15: 7519.   [HTML][PDF]

2. Zha J, He J, Wu C, Zhang M, Liu X, Zhang J*. Designing drugs and chemical probes with the dualsteric approach. Chem Soc Rev. 2023, 52: 8651-8677.   [HTML][PDF]

3. Zhong J, Guo Y, Lu S, Song K, Wang Y, Feng L, Zheng Z, Zhang Q, Wei J, Sang P, Shi Y, Cai J, Chen G, Liu C*, Yang X*, Zhang J*. Rational design of a sensitivity-enhanced tracer for discovering efficient APC–Asef inhibitors. Nat Commun. 2022, 13(1): 4961.   [HTML][PDF]

4. Lu S*, He X, Yang Z, Chai Z, Zhou S, Wang J, Rehman AU, Ni D, Pu J, Sun J*, Zhang J*. Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as novel targets for allosteric drug design. Nat Commun. 2021, 12(1): 4721.   [HTML][PDF]
(ESI Top1% highly cited paper)

5. Ni D, Wei J, He X, Rehman AU, Li X, Qiu Y, Pu J, Lu S*, Zhang J*. Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy. Chem Sci. 2021, 12: 464 - 476.   [HTML][PDF]
(Editor’s Choice & ESI Top1% highly cited paper)

6. Lu S, Shen Q, Zhang J*. Allosteric methods and their Applications: Facilitating the Discovery of Allosteric Drugs and the Investigation of Allosteric Mechanisms. Acc Chem Res. 2019, 52(2): 492-500.   [HTML][PDF]
(ESI Top1% highly cited paper)

7. Lu S, Shen Q, Zhang J*. Allosteric methods and their Applications: Facilitating the Discovery of Allosteric Drugs and the Investigation of Allosteric Mechanisms. Acc Chem Res. 2019, 52(2): 492-500.   [HTML][PDF]
(This paper is an ESI highly cited paper)

8. Lu S, He X, Ni D, Zhang J*. Allosteric modulator discovery: from serendipity to structure-based design. J Med Chem. 2019, 62(14): 6405-6421.   [HTML][PDF]
(This paper is an ESI highly cited paper, and was recommended by Faculty 1000 for 4 times.)

9. Song K, Li Q, Gao W, Lu S, Shen Q, Liu X, Wu Y, Wang B, Lin H, Chen G, Zhang J*. AlloDriver: a method for the identification and analysis of cancer driver targets. Nucleic Acids Res. 2019, 47(W1): W315-W321.   [HTML][PDF]

10. Lu S*, Ni D, Wang C, He X, Lin H, Wang Z*, Zhang J*. Deactivation pathway of Ras GTPase underlies conformational substates as targets for drug design. ACS Catalysis. 2019, 9(8): 7188-7196.   [HTML][PDF]

11. Lu S, Zhang J*. Small Molecule Allosteric Modulators of G-Protein-Coupled Receptors: Drug-Target Interactions. J Med Chem. 2019, 62(1): 24-45.   [HTML][PDF]

12. Huang M, Song K, Liu X, Lu S, Shen Q, Wang R, Gao J, Hong Y, Li Q, Ni D, Xu J, Chen G, Zhang J*. AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses. Nucleic Acids Res. 2018, 46(W1): W451-W458.   [HTML][PDF]

13. Huang Z, Zhao J, Deng W, Chen Y, Shang J, Song K, Zhang L, Wang C, Lu S, Yang X, He B, Min J, Hu H, Tan M, Xu J, Zhang Q, Zhong J, Sun X, Mao Z, Lin H, Xiao M, Chin YE, Jiang H, Xu Y*, Chen G*, Zhang J*. Identification of a cellularly active SIRT6 allosteric activator. Nat Chem Biol. 2018, 14(12): 1118-1126.   [HTML][PDF]
(This paper was recommended by BioCentury )

14. Yang X, Zhong J, Zhang Q, Qian J, Song K, Ruan C, Xu J, Ding K, Zhang J*. Rational Design and Structure Validation of a Novel peptide Inhibitor of the Adenomatous Polyposis Coli (APC)-Rho Guanine Nucleotide Exchange Factor 4 (Asef) Interaction. J Med Chem. 2018, 61(17): 8017-8028.   [HTML][PDF]

15. Jiang H, Deng R, Yang X, Shang J, Lu S, Zhao Y, Song K, Liu X, Zhang Q, Chen Y, Chinn YE, Wu G, Li J, Chen G, Yu J*, Zhang J*. Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat Chem Biol. 2017, 13: 994 - 1001.   [HTML][PDF]
(Recommended by "Research Watch" in , 2017)

16. Shen Q, Cheng F, Song H, Lu W, Zhao J, An X, Liu M, Chen G, Zhao Z*, Zhang J*. Proteome-scale investigation of protein allosteric regulation perturbed by somatic mutations in 7,000 cancer genomes. Am J Hum Genet. 2017, 100, 5-20.   [HTML][PDF]

17. Shen Q, Wang G, Li S, Liu X, Lu S, Chen Z, Song K, Yan J, Geng L, Huang Z, Huang W, Cheng G, Zhang J*. ASD v3.0: unraveling allosteric regulation with structural mechanisms and biological networks. Nucleic Acids Res. 2016, 44, D527 - D535.   [HTML][PDF]

18. Lu S, Jang H, Muratcioglu S, Gursoy A, Keskin O, Nussinov R*, Zhang J*. Ras conformational ensembles, allostery and signaling. Chem Rev. 2016, 116, 6607 - 6665.   [HTML][PDF]
(This paper is highlighted with the cover )

19. Huang Z, Mou L, Shen Q, Lu S, Li C, Liu X, Wang G, Li S, Geng L, Liu Y, Wu J, Chen G, Zhang J*. ASD v2.0: updated content and novel features focusing on allosteric regulation. Nucleic Acids Res. 2014, 42(1), D510 - D516.   [HTML][PDF]

20. Zhao Y, Zhang X, Chen Y, Lu S, Peng Y, Wang X, Guo C, Zhou A, Zhang J, Luo Y, Shen Q, Ding J, Meng L*, Zhang J*. Crystal Structures of PI3Kα Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med. Chem. Lett. 2014, 5, 138 - 142.   [HTML][PDF]
(This paper was recommended by Faculty 1000 and ACS )

21. Huang Z, Zhu L, Cao Y, Wu G, Liu X, Chen Y, Wang Q, Shi T, Zhao Y, Wang Y, Li W, Li Y, Chen H*, Chen G, Zhang J*. ASD: a comprehensive database of allosteric proteins and modulators. Nucleic Acids Res. 2011, 39, D663 - 669.   [HTML][PDF]