Liangxu Xie

发表

A promoted copper-catalysed Azide-alkyne cycloaddition (CuAAC) for broad spectrum peptide-engineered implants

Yingjun Wang, Guansong Hu, Junjian Chen, 2022 .

Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning

Shan Chang, Xiaojun Xu, Liangxu Xie, 2020, Frontiers in Pharmacology.

Enhanced molecular dynamics simulation of the transformation between α-helix and β-hairpin structures for peptide

Liangxu Xie, Zhe-ning Chen, 2016 .

Multi-responsive, bidirectional, and large deformation bending actuators based on borax cross-linked polyvinyl alcohol derivative hydrogel

Liangxu Xie, Yanping Huo, Liang Gao, 2017 .

Enhanced QM/MM sampling for free energy calculation of chemical reactions: A case study of double proton transfer.

Liangxu Xie, Zhe-ning Chen, D. Fang, 2019, The Journal of chemical physics.

Understanding the entropic effect in chorismate mutase reaction catalyzed by isochorismate-pyruvate lyase fromPseudomonas aeruginosa(PchB)

Liangxu Xie, Zhe-ning Chen, Mingjun Yang, 2019, Catalysis Science & Technology.

High-throughput screening and rational design of biofunctionalized surfaces with optimized biocompatibility and antimicrobial activity

Yingjun Wang, Xuetao Shi, Chuanbin Mao, 2021, Nature Communications.

Thermodynamic properties of solvated peptides from selective integrated tempering sampling with a new weighting factor estimation algorithm

Liangxu Xie, Mingjun Yang, Lin Shen, 2017 .

Counterion distribution around a polyelectrolyte confined in a metal–organic framework

Liangxu Xie, Kwong‐Yu Chan, Vanessa Chi-Ying Li, 2022, Molecular Simulation.

Molecular Dynamics Simulation of Hydration and Free Energy of Ions in Nanochannels of Polyelectrolyte Threaded Metal Organic Framework and the Impacts on Selective Ion Transport

Liangxu Xie, Kwong‐Yu Chan, Vanessa Chi-Ying Li, 2022, Journal of Molecular Liquids.

Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics Simulations

Liangxu Xie, Dawei Zhang, Lei Xu, 2022, Molecules.

Facet engineered TiO2 hollow sphere for the visible-light-mediated degradation of antibiotics via ligand-to-metal charge transfer

Wenjie Tang, Liangxu Xie, T. Tang, 2020 .

Highly Selective Transport of Alkali Metal Ions by Nano-channels of Polyelectrolyte Threaded MIL-53 Metal Organic Framework.

Liangxu Xie, C. Li, Kwong‐Yu Chan, 2019, Nano letters.

A Broad-Spectrum Antiviral Molecule, Protoporphyrin IX, Acts as a Moderator of HIV-1 Capsid Assembly by Targeting the Capsid Hexamer

Liangxu Xie, Dawei Zhang, Xiao-Shuang Xu, 2022, Microbiology Spectrum.

Ag/Ag2O confined visible-light driven catalyst for highly efficient selective hydrogenation of nitroarenes in pure water medium at room temperature

Liangxu Xie, Limin Wu, Shunsheng Cao, 2020 .

DNA-Encoded Dynamic Chemical Library and Its Applications in Ligand Discovery.

Xuhui Huang, Xin Li, Qingrong Li, 2018, Journal of the American Chemical Society.

Sequence-dependent nanomolar binding of tripeptides containing N-terminal phenylalanine by Cucurbit[7]uril: A theoretical study

Liangxu Xie, Zesheng Li, F. Ma, 2021 .

Multitask deep networks with grid featurization achieve improved scoring performance for protein–ligand binding

Lei Xu, Li Meng, Shan Chang, 2020, Chemical biology & drug design.

Landscape Zooming toward the Prediction of RNA Cotranscriptional Folding.

Xiaojun Xu, Shi-jie Chen, Liangxu Xie, 2022, Journal of chemical theory and computation.

cRNAsp12 Web Server for the Prediction of Circular RNA Secondary Structures and Stabilities

Fengfei Wang, Liangxu Xie, Y. Tong, 2023, International journal of molecular sciences.

DePS: An improved deep learning model for de novo peptide sequencing

Liangxu Xie, R. Kong, Hong Zhang, 2022, ArXiv.

Computational prediction of Lee retention indices of polycyclic aromatic hydrocarbons by using machine learning

M. Zhang, Liangxu Xie, Lei Xu, 2022, Chemical biology & drug design.

Improving de novo Molecule Generation by Embedding LSTM and Attention Mechanism in CycleGAN

Shan Chang, Liangxu Xie, Lei Xu, 2021, Frontiers in Genetics.

A Broad-Spectrum Antiviral Molecule, Protoporphyrin IX, Acts as a Moderator of HIV-1 Capsid Assembly by Targeting the Capsid Hexamer

Liangxu Xie, Dawei Zhang, Xiao-Shuang Xu, 2022, Microbiology spectrum.

Mechanistic Insights and Rational Design of a Versatile Surface with Cells/Bacteria Recognition Capability via Orientated Fusion Peptides

Xuhui Huang, Yingjun Wang, Xuetao Shi, 2019, Advanced science.

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, N. Quirke, 2017, Langmuir : the ACS journal of surfaces and colloids.

Neural networks prediction of the protein-ligand binding affinity with circular fingerprints

Fengfei Wang, Liangxu Xie, Wei Song, 2023, Technology and health care : official journal of the European Society for Engineering and Medicine.

COVID-19 Imaging-based AI Research - A Literature Review.

Shan Chang, Liangxu Xie, R. Kong, 2021, Current medical imaging.

In silico prediction of boiling point, octanol–water partition coefficient, and retention time index of polycyclic aromatic hydrocarbons through machine learning

M. Zhang, Liangxu Xie, Lei Xu, 2022, Chemical biology & drug design.

Mechanistic Insights and Rational Design of a Versatile Surface with Cells/Bacteria Recognition Capability via Orientated Fusion Peptides

Xuhui Huang, Yingjun Wang, Xuetao Shi, 2019, Advanced science.

Implementing Attention Mechanism in Convolutional Neural Network to Improve Performance of MRI Image Classification of Nasopharyngeal Cancer

Liangxu Xie, Wei Song, Xiaojun Xu, 2022, 2022 6th Asian Conference on Artificial Intelligence Technology (ACAIT).

DNA-Encoded Dynamic Chemical Library and Its Applications in Ligand Discovery.

Xuhui Huang, Liangxu Xie, Chen Li, 2018, Journal of the American Chemical Society.

Highly Selective Transport of Alkali Metal Ions by Nano-channels of Polyelectrolyte Threaded MIL-53 Metal Organic Framework.

Liangxu Xie, Kwong‐Yu Chan, Liang Gao, 2019, Nano letters.