Fei Xia

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 25

Top Topics

Molecular Dynamics Simulations

High Efficiency

Top Venues

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Journal of chemical theory and computation

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

Publications

Fangchen Hu, Yiqiu Wang, Juan Zeng, Xianming Deng, Fei Xia, Xin Xu
Unveiling the State Transition Mechanisms of Ras Proteins through Enhanced Sampling and QM/MM Simulations. The journal of physical chemistry. B 128 (6) (2024)
Fangchen Hu, Yiqiu Wang, Juan Zeng, Xianming Deng, Fei Xia, Xin Xu
Unveiling the State Transition Mechanisms of Ras Proteins through Enhanced Sampling and QM/MM Simulations. The journal of physical chemistry. B 128 (6) (2024)
Fangchen Hu, Yiqiu Wang, Juan Zeng, Xianming Deng, Fei Xia, Xin Xu
Unveiling the State Transition Mechanisms of Ras Proteins through Enhanced Sampling and QM/MM Simulations. The journal of physical chemistry. B (2024)
Jinyin Zha, Fei Xia
Developing Hybrid All-Atom and Ultra-Coarse-Grained Models to Investigate Taxol-Binding and Dynein Interactions on Microtubules. Journal of chemical theory and computation (2023)
Fengyu Li, Yuwei Zhang, Fei Xia, Xin Xu
Development of multiscale ultra-coarse-grained models for the SARS-CoV-2 virion from cryo-electron microscopy data. Physical chemistry chemical physics : PCCP 25 (18) (2023)
Fengyu Li, Yuwei Zhang, Fei Xia, Xin Xu
Development of multiscale ultra-coarse-grained models for the SARS-CoV-2 virion from cryo-electron microscopy data. Physical chemistry chemical physics : PCCP 25 (18) (2023)
Juan Zeng, Jian Chen, Fei Xia, Qiang Cui, Xianming Deng, Xin Xu
Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations. Physical chemistry chemical physics : PCCP 24 (13) (2022)
Yuqing Xiong, Juan Zeng, Fei Xia, Qiang Cui, Xianming Deng, Xin Xu
Conformations and binding pockets of HRas and its guanine nucleotide exchange factors complexes in the guanosine triphosphate exchange process. Journal of computational chemistry 43 (13) (2022)
Yuwei Zhang, Yunchu Wang, Fei Xia, Zexing Cao, Xin Xu
Accurate and Efficient Estimation of Lennard-Jones Interactions for Coarse-Grained Particles via a Potential Matching Method. Journal of chemical theory and computation 18 (8) (2022)
Wangyujing Han, Jie Yu, Zhenghui Kang, Longlong Song, Rou Pi, Suzhen Dong, Yuqing Xiong, Fei Xia, Zi Li, Shunying Liu
Dual Functional Pd-Catalyzed Multicomponent Reaction by Umpolung Chemistry of the Oxygen Atom in Electrophiles. The Journal of organic chemistry 86 (9) (2021)
Juan Zeng, Jingwei Weng, Yuwei Zhang, Fei Xia, Qiang Cui, Xin Xu
Conformational Features of Ras: Key Hydrogen-Bonding Interactions of Gln61 in the Intermediate State during GTP Hydrolysis. The journal of physical chemistry. B 125 (31) (2021)
Yuwei Zhang, Zexing Cao, John Zenghui Zhang, Fei Xia
Double-Well Ultra-Coarse-Grained Model to Describe Protein Conformational Transitions. Journal of chemical theory and computation 16 (10) (2020)
Zhi-Zheng Sheng, Min-Min Huang, Teng Xue, Fei Xia, Hai-Hong Wu
Alcohol amine-catalyzed CO 2 conversion for the synthesis of quinazoline-2,4-(1 H ,3 H )-dione in water. RSC advances 10 (57) (2020)
Jinyin Zha, Tong Ding, Jian Chen, Rong Wang, Guohua Gao, Fei Xia
Reaction Mechanism of CO2 and Styrene Oxide Catalyzed by Ionic Liquids: A Combined DFT Calculation and Experimental Study. The journal of physical chemistry. A 124 (39) (2020)
Fengyu Li, John Zenghui Zhang, Fei Xia
How CuCl and CuCl2 Insert into C-N Bonds of Diazo Compounds: An Electronic Structure and Mechanistic Study. The journal of physical chemistry. A 124 (10) (2020)
Lele Sun, Yingying Su, Jun-Gang Wang, Fei Xia, Ying Xu, Di Li
DNA nanotweezers for stabilizing and dynamically lighting up a lipid raft on living cell membranes and the activation of T cells. Chemical science 11 (6) (2020)
Zhenliang Wu, Yuwei Zhang, John Zenghui Zhang, Kelin Xia, Fei Xia
Determining Optimal Coarse-Grained Representation for Biomolecules Using Internal Cluster Validation Indexes. Journal of computational chemistry 41 (1) (2019)
Zi Li, Qinghua Wei, Longlong Song, Wangyujing Han, Xiang Wu, Yun Zhao, Fei Xia, Shunying Liu
Highly Regioselective Radical Transformation of N-Sulfonyl-1,2,3-triazoles in Air. Organic letters 21 (16) (2019)
Yang Li, Xianwei Wang, Longlong Ren, Xuecheng Cao, Changge Ji, Fei Xia, John Z H Zhang
Electrostatic Polarization Effect on Cooperative Aggregation of Full Length Human Islet Amyloid. Journal of chemical information and modeling 58 (8) (2018)
Yang Li, Yuwei Zhang, Frederik Großerüschkamp, Sara Stephan, Qiang Cui, Carsten Kötting, Fei Xia, Klaus Gerwert
Specific Substates of Ras To Interact with GAPs and Effectors: Revealed by Theoretical Simulations and FTIR Experiments. The journal of physical chemistry letters 9 (6) (2018)
Cuiling Zhang, Shiming Zhang, Yinghan Yan, Fei Xia, Anni Huang, Yuezhong Xian
Highly Fluorescent Polyimide Covalent Organic Nanosheets as Sensing Probes for the Detection of 2,4,6-Trinitrophenol. ACS applied materials & interfaces 9 (15) (2017)
Jun Zhou, Siying Lv, Dan Zhang, Fei Xia, Wenhao Hu
Deactivating Influence of 3-O-Glycosyl Substituent on Anomeric Reactivity of Thiomannoside Observed in Oligomannoside Synthesis. The Journal of organic chemistry 82 (5) (2017)
Shunying Liu, Jun Jiang, Jianghui Chen, Qinghua Wei, Wenfeng Yao, Fei Xia, Wen-Hao Hu
A DFT calculation-inspired Rh(i)-catalyzed reaction via suppression of α-H shift in α-alkyldiazoacetates. Chemical science 8 (6) (2017)
Yuwei Zhang, Zexing Cao, John Zenghui Zhang, Fei Xia
Performance Comparison of Systematic Methods for Rigorous Definition of Coarse-Grained Sites of Large Biomolecules. Journal of chemical information and modeling 57 (2) (2017)
Zhoujie Luo, Ya Gao, Tong Zhu, John Zenghui Zhang, Fei Xia
Origins of Protons in C-H Bond Insertion Products of Phenols: Proton-Self-Sufficient Function via Water Molecules. The journal of physical chemistry. A 121 (34) (2017)