Zhaoxi Sun

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 16

Top Topics

Interaction Patterns

Parameter Estimation

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

Xiao Liu, Lei Zheng, Chu Qin, Yang Li, John Z. H. Zhang, Zhaoxi Sun
Screening Power of End-Point Free-Energy Calculations in Cucurbituril Host-Guest Systems. J. Chem. Inf. Model. 63 (21) (2023)
Xiao Liu, Lei Zheng, Yalong Cong, Zhihao Gong, Zhixiang Yin, John Z. H. Zhang, Zhirong Liu, Zhaoxi Sun
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant. J. Comput. Aided Mol. Des. 36 (12) (2022)
Xiao Liu, Lei Zheng, Chu Qin, John Z. H. Zhang, Zhaoxi Sun
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: I. Standard procedure. J. Comput. Aided Mol. Des. 36 (10) (2022)
Zhaoxi Sun
SAMPL7 TrimerTrip host-guest binding poses and binding affinities from spherical-coordinates-biased simulations. J. Comput. Aided Mol. Des. 35 (1) (2021)
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. J. Chem. Inf. Model. 61 (1) (2021)
Zhe Huai, Huaiyu Yang, Zhaoxi Sun
Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations. J. Comput. Aided Mol. Des. 35 (5) (2021)
Zhaoxi Sun, Zhe Huai, Qiao-Le He, Zhirong Liu
A General Picture of Cucurbit[8]uril Host-Guest Binding. J. Chem. Inf. Model. 61 (12) (2021)
Zhe Huai, Huaiyu Yang, Xiao Li, Zhaoxi Sun
SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations. J. Comput. Aided Mol. Des. 35 (1) (2021)
Yue-Chao Zhu, Zhaoxi Sun, Qiao-Le He
Clustering-based convergence diagnostic for multi-modal identification in parameter estimation of chromatography model with parallel MCMC. CoRR (2021)
Qiao-Le He, Eric von Lieres, Zhaoxi Sun, Liming Zhao
Model-based process design of a ternary protein separation using multi-step gradient ion-exchange SMB chromatography. Comput. Chem. Eng. 138 (2020)
Zhaoxi Sun, Qiao-Le He, Xiao Li, Zhengdan Zhu
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations. J. Comput. Aided Mol. Des. 34 (5) (2020)
Xiaohui Wang, Xingzhao Tu, Boming Deng, John Z. H. Zhang, Zhaoxi Sun
BAR-based optimum adaptive steered MD for configurational sampling. J. Comput. Chem. 40 (12) (2019)
Xiaohui Wang, Zhaoxi Sun
Determination of Base-Flipping Free-Energy Landscapes from Nonequilibrium Stratification. J. Chem. Inf. Model. 59 (6) (2019)
Qiao-Le He, Zhaoxi Sun, Liming Zhao
Model-based process design of a ternary protein separation using multi-step gradient ion-exchange SMB chromatography. CoRR (2019)
Yuna Yan, Weijun Wang, Zhaoxi Sun, John Z. H. Zhang, Changge Ji
Protein-Ligand Empirical Interaction Components for Virtual Screening. J. Chem. Inf. Model. 57 (8) (2017)
Zhaoxi Sun, Xiaohui Wang, Jianing Song
Shift. J. Chem. Inf. Model. 57 (7) (2017)