Xiangyu Chen

The structural basis of the autoinhibition mechanism of glycogen synthase kinase 3β (GSK3β): molecular modeling and molecular dynamics simulation studies

Linkai Mou, Wenwen Dou, Gang Meng, 2019, Journal of biomolecular structure & dynamics.

Exploration of the selective binding mechanism of GSK3β via molecular modeling and molecular dynamics simulation studies

Linkai Mou, Xiao-jie Meng, Xiangyu Chen, 2020, Medicinal Chemistry Research.

How does the novel T315L mutation of breakpoint cluster region-abelson (BCR-ABL) kinase confer resistance to ponatinib: a comparative molecular dynamics simulation study

Shaoyong Lu, Xinheng He, D. Ni, 2020, Journal of biomolecular structure & dynamics.

Markov State Models and Molecular Dynamics Simulations Provide Understanding of the Nucleotide-Dependent Dimerization-Based Activation of LRRK2 ROC Domain

Shaoyong Lu, D. Ni, Zengxin Qi, 2021, Molecules.

Deciphering the Mechanism of Gilteritinib Overcoming Lorlatinib Resistance to the Double Mutant I1171N/F1174I in Anaplastic Lymphoma Kinase

Shaoyong Lu, Guozhen Li, Yudi Liu, 2021, Frontiers in Cell and Developmental Biology.

Structural and energetic insights into the selective inhibition of PKMYT1 against WEE1

Guozhen Li, Linkai Mou, Xiangyu Chen, 2023, Journal of biomolecular structure & dynamics.