Xuewei Liu

发表

Understanding the structural and energetic basis of PD-1 and monoclonal antibodies bound to PD-L1: A molecular modeling perspective.

Danfeng Shi, Shuangyan Zhou, Huanxiang Liu, 2018, Biochimica et biophysica acta. General subjects.

The solvent at antigen-binding site regulated C3d-CR2 interactions through the C-terminal tail of C3d at different ion strengths: insights from molecular dynamics simulation.

Huanxiang Liu, X. Yao, Lanlan Li, 2016, Biochimica et biophysica acta.

Molecular Dynamics Simulation Study on the Binding and Stabilization Mechanism of Antiprion Compounds to the "Hot Spot" Region of PrPC.

Xiaoli An, Shuangyan Zhou, Huanxiang Liu, 2017, ACS chemical neuroscience.

Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting Hexokinase-II

Xuewei Liu, Ruijuan Liu, 2022, Molecules.

Molecular dynamics simulations and novel drug discovery

Hongli Liu, Xiaojun Yao, Huanxiang Liu, 2018, Expert opinion on drug discovery.

Protective V127 prion variant prevents prion disease by interrupting the formation of dimer and fibril from molecular dynamics simulations

Danfeng Shi, Shuangyan Zhou, Huanxiang Liu, 2016, Scientific Reports.

How graphene affects the misfolding of human prion protein: A combined experimental and molecular dynamics simulation study

Huanxiang Liu, X. Yao, Lanlan Li, 2019, Environmental research.

Influence of EGCG on α‐synuclein (αS) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation

Danfeng Shi, Qifeng Bai, Shuangyan Zhou, 2018, Chemical biology & drug design.

Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity

Huanxiang Liu, Qifeng Bai, Xiaojun Yao, 2018, Proteins.

pH-Induced Misfolding Mechanism of Prion Protein: Insights from Microsecond-Accelerated Molecular Dynamics Simulations.

Danfeng Shi, Shuangyan Zhou, Huanxiang Liu, 2019, ACS chemical neuroscience.

Disclosing the Mechanism of Spontaneous Aggregation and Template-Induced Misfolding of the Key Hexapeptide (PHF6) of Tau Protein Based on Molecular Dynamics Simulation.

Shuangyan Zhou, Huanxiang Liu, Xiaojun Yao, 2019, ACS chemical neuroscience.

Disclosing the Template-Induced Misfolding Mechanism of Tau Protein by Studying the Dissociation of the Boundary Chain from the Formed Tau Fibril Based on a Steered Molecular Dynamics Simulation.

Xiaoli An, Shuangyan Zhou, Huanxiang Liu, 2019, ACS chemical neuroscience.