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Journal of Visualized Experiments : Jove
|
August 6, 2019
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Zhihui Tu, Jian Yin, Liangxu Xie
Langmuir : the ACS Journal of Surfaces and Colloids
|
August 3, 2017
Poly(ethylene glycol) (PEG) in a Polyethylene (PE) Framework: A Simple Model for Simulation Studies of a Soluble Polymer in an Open Framework
Liangxu Xie, Kwong-Yu Chan, Nick Quirke
Molecules (Basel, Switzerland)
|
October 27, 2022
Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics Simulations
Lei Xu, Liangxu Xie, Dawei Zhang, et al.
Journal of Chemical Theory and Computation
|
February 8, 2022
Landscape Zooming toward the Prediction of RNA Cotranscriptional Folding
Xiaojun Xu, Lei Jin, Liangxu Xie, et al.
The Journal of Chemical Physics
|
January 16, 2017
Efficient free energy calculations by combining two complementary tempering sampling methods
Liangxu Xie, Lin Shen, Zhe-Ning Chen, et al.
Chemical Biology & Drug Design
|
October 15, 2020
Multitask deep networks with grid featurization achieve improved scoring performance for protein-ligand binding
Liangxu Xie, Lei Xu, Shan Chang, et al.
Journal of Chemical Theory and Computation
|
July 9, 2025
Fusing Domain Knowledge with a Fine-Tuned Large Language Model for Enhanced Molecular Property Prediction
Liangxu Xie, Yingdi Jin, Lei Xu, et al.
Biochemical and Biophysical Research Communications
|
April 16, 2025
Molecular surfaces modeling: Advancements in deep learning for molecular interactions and predictions
Renjie Xia, Wei Li, Yi Cheng, et al.
Frontiers in Pharmacology
|
January 25, 2021
Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning
Liangxu Xie, Lei Xu, Ren Kong, et al.
Molecules (Basel, Switzerland)
|
November 25, 2023
Application of Machine Learning Methods to Predict the Air Half-Lives of Persistent Organic Pollutants
Ying Zhang, Liangxu Xie, Dawei Zhang, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Journal of Visualized Experiments : Jove
|
August 6, 2019
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Zhihui Tu, Jian Yin, Liangxu Xie
Langmuir : the ACS Journal of Surfaces and Colloids
|
August 3, 2017
Poly(ethylene glycol) (PEG) in a Polyethylene (PE) Framework: A Simple Model for Simulation Studies of a Soluble Polymer in an Open Framework
Liangxu Xie, Kwong-Yu Chan, Nick Quirke
Molecules (Basel, Switzerland)
|
October 27, 2022
Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics Simulations
Lei Xu, Liangxu Xie, Dawei Zhang, et al.
Journal of Chemical Theory and Computation
|
February 8, 2022
Landscape Zooming toward the Prediction of RNA Cotranscriptional Folding
Xiaojun Xu, Lei Jin, Liangxu Xie, et al.
The Journal of Chemical Physics
|
January 16, 2017
Efficient free energy calculations by combining two complementary tempering sampling methods
Liangxu Xie, Lin Shen, Zhe-Ning Chen, et al.
Chemical Biology & Drug Design
|
October 15, 2020
Multitask deep networks with grid featurization achieve improved scoring performance for protein-ligand binding
Liangxu Xie, Lei Xu, Shan Chang, et al.
Journal of Chemical Theory and Computation
|
July 9, 2025
Fusing Domain Knowledge with a Fine-Tuned Large Language Model for Enhanced Molecular Property Prediction
Liangxu Xie, Yingdi Jin, Lei Xu, et al.
Biochemical and Biophysical Research Communications
|
April 16, 2025
Molecular surfaces modeling: Advancements in deep learning for molecular interactions and predictions
Renjie Xia, Wei Li, Yi Cheng, et al.
Frontiers in Pharmacology
|
January 25, 2021
Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning
Liangxu Xie, Lei Xu, Ren Kong, et al.
Molecules (Basel, Switzerland)
|
November 25, 2023
Application of Machine Learning Methods to Predict the Air Half-Lives of Persistent Organic Pollutants
Ying Zhang, Liangxu Xie, Dawei Zhang, et al.
Page
of 4