Zhaoxi Sun

ResearcherID Loop profile Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 27

Top Venues

Molecules (Basel, Switzerland)

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Journal of computer-aided molecular design

Peking University

East China Normal University (PHD)

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

Affiliation History

Peking University

China

Boya Postdoc :: Chemistry

Education History

East China Normal University Sep 01 2015

China

PHD :: State Key Lab of Precision Spectropy

Nanjing University Sep 01 2011 - Jul 01 2015

China

BSC :: Chemistry

Publications

Zhaoxi Sun, Piero Procacci
Methodological and force field effects in the molecular dynamics-based prediction of binding free energies of host-guest systems. Physical chemistry chemical physics : PCCP 26 (29) (2024)
Zhaoxi Sun, Piero Procacci
Methodological and force field effects in the molecular dynamics-based prediction of binding free energies of host-guest systems. Physical chemistry chemical physics : PCCP (2024)
Xiao Liu, Lei Zheng, Chu Qin, Yang Li, John Zenghui Zhang, Zhaoxi Sun
Screening Power of End-Point Free-Energy Calculations in Cucurbituril Host-Guest Systems. Journal of chemical information and modeling (2023)
Zhaoxi Sun, Qiaole He, Zhihao Gong, Payam Kalhor, Zhe Huai, Zhirong Liu
A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions. Molecules (Basel, Switzerland) 28 (7) (2023)
Xiao Liu, Lei Zheng, Chu Qin, Yalong Cong, John Zenghui Zhang, Zhaoxi Sun
Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation. Molecules (Basel, Switzerland) 28 (6) (2023)
Zhaoxi Sun, Lei Zheng, Zuo-Yuan Zhang, Yalong Cong, Mao Wang, Xiaohui Wang, Jingjing Yang, Zhirong Liu, Zhe Huai
Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient. Molecules (Basel, Switzerland) 28 (2) (2023)
Zhaoxi Sun, Lei Zheng, Zuo-Yuan Zhang, Yalong Cong, Mao Wang, Xiaohui Wang, Jingjing Yang, Zhirong Liu, Zhe Huai
Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient. Molecules (Basel, Switzerland) 28 (2) (2023)
Zhaoxi Sun, Lei Zheng, Zuo-Yuan Zhang, Yalong Cong, Mao Wang, Xiaohui Wang, Jingjing Yang, Zhirong Liu, Zhe Huai
Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient. Molecules (Basel, Switzerland) 28 (2) (2023)
Zhaoxi Sun, Lei Zheng, Zuo-Yuan Zhang, Yalong Cong, Mao Wang, Xiaohui Wang, Jingjing Yang, Zhirong Liu, Zhe Huai
Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient. Molecules (Basel, Switzerland) 28 (2) (2023)
Xiaohui Wang, Zhe Huai, Zhaoxi Sun
Host Dynamics under General-Purpose Force Fields. Molecules (Basel, Switzerland) 28 (16) (2023)
Xiao Liu, Lei Zheng, Chu Qin, Yalong Cong, John Zenghui Zhang, Zhaoxi Sun
Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation. Molecules (Basel, Switzerland) 28 (6) (2023)
Xiao Liu, Lei Zheng, Chu Qin, Yalong Cong, John Zenghui Zhang, Zhaoxi Sun
Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation. Molecules (Basel, Switzerland) 28 (6) (2023)
Xiaohui Wang, Bin Chong, Zhaoxi Sun, Hao Ruan, Yingguang Yang, Pengbo Song, Zhirong Liu
More is simpler: Decomposition of ligand-binding affinity for proteins being disordered. Protein science : a publication of the Protein Society 31 (7) (2022)
Zhaoxi Sun, Qiaole He
Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levels. Physical chemistry chemical physics : PCCP 24 (15) (2022)
Zhe Huai, Huaiyu Yang, Zhaoxi Sun
Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations. Journal of computer-aided molecular design 35 (5) (2021)
Zhaoxi Sun, Zhe Huai, Qiaole He, Zhirong Liu
A General Picture of Cucurbit[8]uril Host-Guest Binding. Journal of chemical information and modeling (2021)
Zhaoxi Sun, Qiaole He, Xiao Li, Zhengdan Zhu
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations. Journal of computer-aided molecular design 34 (5) (2020)
Zhe Huai, Huaiyu Yang, Xiao Li, Zhaoxi Sun
SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations. Journal of computer-aided molecular design 35 (1) (2020)
Zhaoxi Sun
SAMPL7 TrimerTrip host-guest binding poses and binding affinities from spherical-coordinates-biased simulations. Journal of computer-aided molecular design 35 (1) (2020)
Zhe Huai, Zhaoxi Shen, Zhaoxi Sun
Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields. Journal of chemical information and modeling 61 (1) (2020)
Xiaohui Wang, Zhaoxi Sun
Determination of Base-Flipping Free-Energy Landscapes from Nonequilibrium Stratification. Journal of chemical information and modeling 59 (6) (2019)
Xiaohui Wang, Xingzhao Tu, Boming Deng, John Zenghui Zhang, Zhaoxi Sun
BAR-based optimum adaptive steered MD for configurational sampling. Journal of computational chemistry 40 (12) (2019)
Zhaoxi Sun, Xiaohui Wang, John Zenghui Zhang
Theoretical understanding of the thermodynamics and interactions in transcriptional regulator TtgR-ligand binding. Physical chemistry chemical physics : PCCP 22 (3) (2019)
Zhaoxi Sun, Xiaohui Wang, John Zenghui Zhang, Qiaole He
Sulfur-substitution-induced base flipping in the DNA duplex. Physical chemistry chemical physics : PCCP 21 (27) (2019)
Xiaohui Wang, Boming Deng, Zhaoxi Sun
Thermodynamics of helix formation in small peptides of varying length in vacuo, in implicit solvent, and in explicit solvent. Journal of molecular modeling 25 (1) (2018)
Yuna Yan, Weijun Wang, Zhaoxi Sun, John Zenghui Zhang, Changge Ji
Protein-Ligand Empirical Interaction Components for Virtual Screening. Journal of chemical information and modeling 57 (8) (2017)
Zhaoxi Sun, Xiaohui Wang, Jianing Song
Extensive Assessment of Various Computational Methods for Aspartate's pKa Shift. Journal of chemical information and modeling 57 (7) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Zhaoxi Sun