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Guangxu Sun
Observed names:
G.-Z. Sun,
Guang-Xu Sun,
GuangXu Sun,
Sun, GuangXu,
Sun, Guangxu
Institution:
XtalPi (China)
Observed institutions:
University of Science and Technology of China,
Peking University,
First Affiliated Hospital of Xinjiang Medical University,
Heilongjiang Bayi Agricultural University,
XtalPi (China)
ORCID:
0000-0003-0801-5699
Observed ORCID:
0000-0003-0801-5699
OpenAlex ID:
A5109719822
The seventh blind test of crystal structure prediction: structure generation methods
2024
·
Lily M. Hunnisett
, Jonas Nyman
, et al.
·
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
·
103
PDF
Origin of High Photocatalytic Properties in the Mixed-Phase TiO2: A First-Principles Theoretical Study
2014
·
Ming-Gang Ju
, Guangxu Sun
, et al.
·
ACS Applied Materials & Interfaces
·
103
The seventh blind test of crystal structure prediction: structure ranking methods
2024
·
Lily M. Hunnisett
, Nicholas Francia
, et al.
·
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
·
90
PDF
Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods
2020
·
Chandler Greenwell
, Jessica L. McKinley
, et al.
·
Chemical Science
·
76
PDF
Virtual Coformer Screening by Crystal Structure Predictions: Crucial Role of Crystallinity in Pharmaceutical Cocrystallization
2020
·
Guangxu Sun
, Yingdi Jin
, et al.
·
The Journal of Physical Chemistry Letters
·
75
Harnessing Cloud Architecture for Crystal Structure Prediction Calculations
2018
·
Peiyu Zhang
, Geoffrey P. F. Wood
, et al.
·
Crystal Growth & Design
·
69
Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin
2020
·
Mingjun Yang
, Eric Dybeck
, et al.
·
Crystal Growth & Design
·
57
Emerging Landscape of Computational Modeling in Pharmaceutical Development
2022
·
Yuriy A. Abramov
, Guangxu Sun
, et al.
·
Journal of Chemical Information and Modeling
·
56
Polymorphism of Piroxicam: New Polymorphs by Melt Crystallization and Crystal Structure Prediction
2020
·
Changlin Yao
, Ilia A. Guzei
, et al.
·
Crystal Growth & Design
·
50
A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn
2015
·
Ming-Gang Ju
, Guangxu Sun
, et al.
·
Physical Chemistry Chemical Physics
·
48
Current State-of-the-art In-house and Cloud-Based Applications of Virtual Polymorph Screening of Pharmaceutical Compounds: A Challenging Case ofAZD1305
2021
·
GuangXu Sun
, Xuetao Liu
, et al.
·
Crystal Growth & Design
·
40
Virtual coformer screening by a combined machine learning and physics-based approach
2021
·
Jiuchuang Yuan
, Xuetao Liu
, et al.
·
CrystEngComm
·
40
Aggregation-Induced Emission Mechanism of Dimethoxy-Tetraphenylethylene in Water Solution: Molecular Dynamics and QM/MM Investigations
2015
·
Guangxu Sun
, Yi Zhao
, et al.
·
Journal of Chemical Theory and Computation
·
37
Flexible Organic Crystalline Fibers and Loops with Strong Second Harmonic Generation
2025
·
Jiawei Lin
, Shi Tang
, et al.
·
Journal of the American Chemical Society
·
28
Green Mechanochemical Strategy for the Discovery and Selective Preparation of Polymorphs of Active Pharmaceutical Ingredient γ-Aminobutyric Acid (GABA)
2020
·
Lingyu Wang
, Guangxu Sun
, et al.
·
ACS Sustainable Chemistry & Engineering
·
27
Guiding Lead Optimization for Solubility Improvement with Physics-Based Modeling
2020
·
Yuriy A. Abramov
, Guangxu Sun
, et al.
·
Molecular Pharmaceutics
·
26
Effect of Polymer Additives on the Crystal Habit of Metformin HCl
2023
·
Michael A. Bellucci
, Anke Marx
, et al.
·
Small Methods
·
23
PDF
Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series
2021
·
Richard S. Hong
, Alessandra Mattei
, et al.
·
Journal of Chemical Information and Modeling
·
23
PDF
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
2023
·
Bai Xue
, Qingyi Yang
, et al.
·
Journal of Chemical Theory and Computation
·
22
PDF
Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction
2021
·
Sivakumar Sekharan
, Xuetao Liu
, et al.
·
RSC Advances
·
22
PDF
Uncertainty Distribution of Crystal Structure Prediction
2021
·
Yuriy A. Abramov
, Bochen Li
, et al.
·
Crystal Growth & Design
·
15
Solid-Form Transition Temperature Prediction from a Virtual Polymorph Screening: A Reality Check
2019
·
Yuriy Abramov
, Guangxu Sun
, et al.
·
Crystal Growth & Design
·
14
Crystal Energy Landscape of Nifedipine by Experiment and Computer Prediction
2022
·
Yue Gui
, Yingdi Jin
, et al.
·
Crystal Growth & Design
·
10
Mechanisms of large Stokes shift and aggregation-enhanced emission of osmapentalyne cations in solution: combined MD simulations and QM/MM calculations
2015
·
Guang-Xu Sun
, Ming-Gang Ju
, et al.
·
Physical Chemistry Chemical Physics
·
9
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs
2025
·
William P. Wood
, Mihails Arhangelskis
, et al.
·
Crystal Growth & Design
·
7
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Works count:
66
Citation count:
1,116
H-index:
20
I10-index:
23
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