Xibing He

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 42

Top Topics

Molecular Dynamics Simulations

Cerebrospinal Fluid

Machine Learning

Top Venues

ACS chemical neuroscience

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Molecules (Basel, Switzerland)

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

Publications

Luxuan Wang, Xibing He, Beihong Ji, Fengyang Han, Taoyu Niu, Lianjin Cai, Jingchen Zhai, Dongxiao Hao, Junmei Wang
Geometry Optimization Algorithms in Conjunction with the Machine Learning Potential ANI-2x Facilitate the Structure-Based Virtual Screening and Binding Mode Prediction. Biomolecules 14 (6) (2024)
Luxuan Wang, Xibing He, Beihong Ji, Fengyang Han, Taoyu Niu, Lianjin Cai, Jingchen Zhai, Dongxiao Hao, Junmei Wang
Geometry Optimization Algorithms in Conjunction with the Machine Learning Potential ANI-2x Facilitate the Structure-Based Virtual Screening and Binding Mode Prediction. Biomolecules 14 (6) (2024)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Fengyang Han, Dongxiao Hao, Xibing He, Luxuan Wang, Taoyu Niu, Junmei Wang
Distribution of Bound Conformations in Conformational Ensembles for X-ray Ligands Predicted by the ANI-2X Machine Learning Potential. Journal of chemical information and modeling (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience 14 (3) (2023)
Taoyu Niu, Xibing He, Fengyang Han, Luxuan Wang, Junmei Wang
Development and test of highly accurate endpoint free energy methods. 3: partition coefficient prediction using a Poisson-Boltzmann method combined with a solvent accessible surface area model for SAMPL challenges. Physical chemistry chemical physics : PCCP (2023)
Lianjin Cai, Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Junmei Wang
In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling. Molecules (Basel, Switzerland) 28 (24) (2023)
Lianjin Cai, Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Junmei Wang
In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling. Molecules (Basel, Switzerland) 28 (24) (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience 14 (3) (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience 14 (3) (2023)
Lianjin Cai, Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Junmei Wang
In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling. Molecules (Basel, Switzerland) 28 (24) (2023)
Chen Jiang, Xibing He, Yuanqiang Wang, Chih-Jung Chen, Yasmin Othman, Yixuan Hao, Jiayi Yuan, Xiang-Qun Xie, Zhiwei Feng
Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience (2023)
Dongxiao Hao, Xibing He, Adrian E Roitberg, Shengli Zhang, Junmei Wang
Development and Evaluation of Geometry Optimization Algorithms in Conjunction with ANI Potentials. Journal of chemical theory and computation 18 (2) (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience (2022)
Jingchen Zhai, Xibing He, Viet Hoang Man, Yuchen Sun, Beihong Ji, Lianjin Cai, Junmei Wang
A multiple-step in silico screening protocol to identify allosteric inhibitors of Spike-hACE2 binding. Physical chemistry chemical physics : PCCP 24 (7) (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience 14 (2) (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience 14 (2) (2022)
Viet Hoang Man, Xibing He, Junmei Wang
Stable Cavitation Interferes with Aβ 16-22 Oligomerization. Journal of chemical information and modeling 62 (16) (2022)
Jingchen Zhai, Xibing He, Yuchen Sun, Zhuoya Wan, Beihong Ji, Shuhan Liu, Song Li, Junmei Wang
In silico binding affinity prediction for metabotropic glutamate receptors using both endpoint free energy methods and a machine learning-based scoring function. Physical chemistry chemical physics : PCCP 24 (30) (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience 14 (2) (2022)
Viet Hoang Man, Xiongwu Wu, Xibing He, Xiang-Qun Xie, Bernard R Brooks, Junmei Wang
Determination of van der Waals Parameters Using a Double Exponential Potential for Nonbonded Divalent Metal Cations in TIP3P Solvent. Journal of chemical theory and computation 17 (2) (2021)
Beihong Ji, Xibing He, Jingchen Zhai, Yuzhao Zhang, Viet Hoang Man, Junmei Wang
Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction. Briefings in bioinformatics 22 (5) (2021)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of PHF6 Peptide of Tau Protein. Journal of chemical theory and computation 17 (10) (2021)
Dongxiao Hao, Xibing He, Beihong Ji, Shengli Zhang, Junmei Wang
How Well Does the Extended Linear Interaction Energy Method Perform in Accurate Binding Free Energy Calculations? Journal of chemical information and modeling 60 (12) (2020)
Beihong Ji, Shuhan Liu, Xibing He, Viet Hoang Man, Xiang-Qun Xie, Junmei Wang
Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations. ACS chemical neuroscience 11 (8) (2020)
Xibing He, Viet Hoang Man, Wei Yang, Tai-Sung Lee, Junmei Wang
A fast and high-quality charge model for the next generation general AMBER force field. The Journal of chemical physics 153 (11) (2020)