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Personal Introduction

Shaoyong Lu obtained his Ph.D. degree from Zhejiang University, majoring in Chemistry. He pursued post-doctoral research under the supervision of Prof. Jian Zhang and conducted research as a visiting scholar in Prof. Ruth Nussinov’s group at NIH/NCI. Currently, he is a professor at the Medicinal Chemistry & Bioinformatics Center of the Shanghai Jiao Tong University School of Medicine.

In the past decade, his research has primarily focused on computational biology, drug design, and medicinal chemistry, with an emphasis on predicting protein dynamic structures and functions as well as molecular discovery. He has authored over 100 publications in high-ranked scientific journals, such as Chemical Reviews, Chemical Society Reviews, Accounts of Chemical Research, Nature Communications, ACS Catalysis, Chemical Science, Nucleic Acids Research.

Publications:

1. Zhang M, Chen T, Lu X, Lan X, Chen Z*, Lu S*. G protein-coupled receptors (GPCRs): advances in structures, mechanisms, and drug discovery. Signal Transduct Target Ther. 2024, 9: 88.

2. 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.

3. Zha J, Li Q, Liu X, Lin W, Wang T, Wei J, Zhang Z, Lu X, Wu J, Ni D, Song K, Zhang L, Lu X*, Lu S*, Zhang J*. AlloReverse: multiscale understanding among hierarchical allosteric regulations. Nucleic Acids Res. 2023, 51: W33-W38.

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: 4721.

5. Lu S*, Chen Y, Wei J, Zhao M, Ni D, He X, Zhang J*. Mechanism of allosteric activation of SIRT6 revealed by the action of rationally designed activators. Acta Pharm Sin B, 2021, 11: 1355-1361.

6. 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.

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: 492-500.

8. 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 Catal. 2019, 9: 7188-7196.

9. Lu S, Jang H, Gu S, Zhang J*, Nussinov R*. Drugging Ras GTPase: a comprehensive mechanistic and signaling structural view. Chem Soc Rev. 2016, 45: 4929-4952. (Inside Front Cover)

10. 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. (Front Cover)