Xinguo Liu (X G Liu)

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 11

Top Topics

Epidermal Growth Factor Receptor

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

Chemical biology & drug design

Journal of biomolecular structure & dynamics

SAR and QSAR in environmental research

This page only lists publications with an associated author ORCID identifier.

Publications

Jiahao Sun, Xinguo Liu, Shaolong Zhang, Meng Li, Qinggang Zhang, Jianzhong Chen
Molecular insights and optimization strategies for the competitive binding of engineered ACE2 proteins: a multiple replica molecular dynamics study. Physical chemistry chemical physics : PCCP (2023)
Jiahao Sun, Shanshan Liang, Xinguo Liu, Shaolong Zhang, Meng Li, Qinggang Zhang, Jianzhong Chen
Insights into the selectivity of a brain-penetrant CDK4/6 vs CDK1/2 inhibitor for glioblastoma used in multiple replica molecular dynamics simulations. Journal of biomolecular structure & dynamics (2023)
Shanshan Liang, Xinguo Liu, Shaolong Zhang, Meng Li, Qinggang Zhang, Jianzhong Chen
Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Meng Li, Xinguo Liu, Shaolong Zhang, Shanshan Liang, Qinggang Zhang, Jianzhong Chen
Deciphering the binding mechanism of inhibitors of the SARS-CoV-2 main protease through multiple replica accelerated molecular dynamics simulations and free energy landscapes. Physical chemistry chemical physics : PCCP 24 (36) (2022)
S S Liang, Xinguo Liu, Y X Cui, S L Zhang, Q G Zhang, J Z Chen
Molecular mechanism concerning conformational changes of CDK2 mediated by binding of inhibitors using molecular dynamics simulations and principal component analysis. SAR and QSAR in environmental research (2021)
Jianzhong Chen, Xinguo Liu, Shaolong Zhang, Junxiao Chen, Haibo Sun, Lin Zhang, Qinggang Zhang
Molecular mechanism with regard to the binding selectivity of inhibitors toward FABP5 and FABP7 explored by multiple short molecular dynamics simulations and free energy analyses. Physical chemistry chemical physics : PCCP 22 (4) (2020)
Fangfang Yan, Xinguo Liu, Shaolong Zhang, Qinggang Zhang, Jianzhong Chen
Understanding conformational diversity of heat shock protein 90 (HSP90) and binding features of inhibitors to HSP90 via molecular dynamics simulations. Chemical biology & drug design 95 (1) (2019)
Fangfang Yan, Xinguo Liu, Shaolong Zhang, Jing Su, Qinggang Zhang, Jianzhong Chen
Effect of double mutations T790M/L858R on conformation and drug-resistant mechanism of epidermal growth factor receptor explored by molecular dynamics simulations. RSC advances 8 (70) (2018)
Fangfang Yan, Xinguo Liu, Shaolong Zhang, Jing Su, Qinggang Zhang, Jianzhong Chen
Electrostatic interaction-mediated conformational changes of adipocyte fatty acid binding protein probed by molecular dynamics simulation. Journal of biomolecular structure & dynamics 37 (14) (2018)
Jing Su, Xinguo Liu, Shaolong Zhang, Fangfang Yan, Qinggang Zhang, Jianzhong Chen
Insight into selective mechanism of class of I-BRD9 inhibitors toward BRD9 based on molecular dynamics simulations. Chemical biology & drug design 93 (2) (2018)
Jing Su, Xinguo Liu, Shaolong Zhang, Fangfang Yan, Qinggang Zhang, Jianzhong Chen
A theoretical insight into selectivity of inhibitors toward two domains of bromodomain-containing protein 4 using molecular dynamics simulations. Chemical biology & drug design 91 (3) (2017)