Fei Xia

28PUBLICATIONS
25CO-AUTHORS
Condensed matter modelling and density functional theoryMolecular targetsMicroelectromechanical systems (MEMS)Context learningBiomolecular modelling and design
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Publications (28)

|Dec 01, 2025
Development of Shell-Space Electrostatic Potential Fitting Charges in a United-Atom Model for Amino Acids Simulations.

Fengyu Li, Yuwei Zhang, Fei Xia

|Sep 04, 2025
Structure-Based Discovery of Active Pan-KRas Inhibitors Targeting G12D Mutants by Enhanced Sampling Simulations.

Juan Zeng, Li Li, Chi Sun

|Jul 11, 2025
Coarse-Grained Simulation of Persistence Length and Twisting Dynamics of Micrometer-Scale Microtubules.

Renjie Zhu, Yuwei Zhang, Tong Zhu

|Mar 24, 2025
Molecular Dynamics Investigation into the Stability of KRas and CRaf Multimeric Complexes.

Chongli Geng, Juan Zeng, Xianming Deng

|Jan 02, 2025
TarIKGC: A Target Identification Tool Using Semantics-Enhanced Knowledge Graph Completion with Application to CDK2 Inhibitor Discovery.

Xiaojuan Shen, Shijia Yan, Tao Zeng

|Nov 21, 2024
Development of Accurate Force Fields for Mg<sup>2+</sup> and Triphosphate Interactions in ATP·Mg<sup>2+</sup> and GTP·Mg<sup>2+</sup> Complexes.

Fangchen Hu, Yuwei Zhang, Pengfei Li

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Frequent Collaborators

9 joint publications

Xin Xu

5 joint publications

Juan Zeng

4 joint publications

John Zenghui Zhang

4 joint publications

Qiang Cui