Xiaoyun Wu

5PUBLICATIONS
0CO-AUTHORS
Molecular targetsBiomolecular modelling and design
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Publications (5)

|Jul 09, 2021
Identification of imidazo[4,5-c]pyridin-2-one derivatives as novel Src family kinase inhibitors against glioblastoma.

Lishun Zhang, Zichao Yang, Huiting Sang

|Jan 18, 2021
Molecular mechanism study of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations.

Xiaoyun Wu, Qian Guo, Qinlan Li

|Dec 25, 2019
Molecular dynamics simulation and free energy calculation studies of the binding mechanism of allosteric inhibitors with TrkA kinase.

Xiaoyun Wu, Qinlan Li, Shanhe Wan

|Dec 01, 2018
Insight into binding mechanisms of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations.

Shanhe Wan, Ruohong Yan, Ying Jiang

|Sep 13, 2017
Investigation on the binding mechanism of loratinib with the c-ros oncogene 1 (ROS1) receptor tyrosine kinase via molecular dynamics simulation and binding free energy calculations.

Xiaoyun Wu, Yuanyuan Wang, Shanhe Wan

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