Yijie Xia

8PUBLICATIONS
22CO-AUTHORS
Bioinformatic methods developmentStatistical mechanics in chemistryProcess control and simulationMolecular imaging (incl. electron microscopy and neutron diffraction)Biomolecular modelling and design
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Publications (8)

|Jul 10, 2026
Unveiling Large-Scale Kinase-Centric Protein-Protein Interactions through a Knowledge-Informed Workflow.

|Jan 06, 2026
Integrated Boltzmann Sampling: A Few-State Approach for Efficient Multistate Free Energy Calculations.

Xiaohan Lin, Yijie Xia, Jun Zhang

|Feb 27, 2025
Multiscale Force Field Model Based on a Graph Neural Network for Complex Chemical Systems.

Zhaoxin Xie, Yanheng Li, Yijie Xia

|Feb 12, 2025
Effective Nucleation Size for Ice Crystallization.

Maodong Li, Yupeng Huang, Yijie Xia

|Jan 27, 2025
SPONGE-FEP: An Automated Relative Binding Free Energy Calculation Accelerated by Selective Integrated Tempering Sampling.

Yijie Xia, Xiaohan Lin, Jinyuan Hu

|Jan 10, 2024
PMC-IZ: A Simple Algorithm for the Electrostatics Calculation in Slab Geometric Molecular Dynamics Simulations.

Yu-Peng Huang, Yijie Xia, Lijiang Yang

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Frequent Collaborators

8 joint publications

Yi Qin Gao

3 joint publications

Yupeng Huang

2 joint publications

Jun Zhang

2 joint publications

Yi Isaac Yang