Zhaoxi Sun

Orcid: 0000-0001-8311-7797

According to our database1, Zhaoxi Sun authored at least 16 papers between 2017 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2023
Screening Power of End-Point Free-Energy Calculations in Cucurbituril Host-Guest Systems.
J. Chem. Inf. Model., November, 2023

2022
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: I. Standard procedure.
J. Comput. Aided Mol. Des., 2022

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., 2022

2021
A General Picture of Cucurbit[8]uril Host-Guest Binding.
J. Chem. Inf. Model., 2021

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., 2021

SAMPL7 TrimerTrip host-guest binding poses and binding affinities from spherical-coordinates-biased simulations.
J. Comput. Aided Mol. Des., 2021

Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations.
J. Comput. Aided Mol. Des., 2021

SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations.
J. Comput. Aided Mol. Des., 2021

Clustering-based convergence diagnostic for multi-modal identification in parameter estimation of chromatography model with parallel MCMC.
CoRR, 2021

2020
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations.
J. Comput. Aided Mol. Des., 2020

Model-based process design of a ternary protein separation using multi-step gradient ion-exchange SMB chromatography.
Comput. Chem. Eng., 2020

2019
Determination of Base-Flipping Free-Energy Landscapes from Nonequilibrium Stratification.
J. Chem. Inf. Model., 2019

BAR-based optimum adaptive steered MD for configurational sampling.
J. Comput. Chem., 2019

Model-based process design of a ternary protein separation using multi-step gradient ion-exchange SMB chromatography.
CoRR, 2019

2017
Protein-Ligand Empirical Interaction Components for Virtual Screening.
J. Chem. Inf. Model., August, 2017

Extensive Assessment of Various Computational Methods for Aspartate's p<i>K</i><sub>a</sub> Shift.
J. Chem. Inf. Model., July, 2017


  Loading...