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News (23)

Publication (21)

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Discovery of pyrazolo[1,5-a]pyrimidine derivatives targeting TLR4−TLR4∗ homodimerization via AI-powered next-generation screening

Yao-Yao Jiang, Shuai-Ting Yan, Shan-Zhuo Zhang, Meng Wang, Wei-Ming Diao, Jun Li, Xiao-Min Fang, Hang Yin

2025/01.14

RNAErnie、Pretrained Language Models、Nucleotide Sequence Analysis、Fine-tuning、RNA Types

Multi-purpose RNA language modelling with motif-aware pretraining and type-guided fine-tuning

Ning Wang, Jiang Bian, Yuchen Li, Xuhong Li, Shahid Mumtaz, Linghe Kong & Haoyi Xiong

2024/05.13

Protein Function Prediction

Protein Function Prediction with Primary-Tertiary Hierarchical Learning

Arnold Kazadi, Ming Zhang, Jingbo Zhou

2023/12.05

Protein structure prediction、Protein language model、HelixFold-Single

A method for multiple-sequence-alignment-free protein structure prediction using a protein language model

Xiaomin Fang, Fan Wang, Lihang Liu, Jingzhou He, Dayong Lin, Yingfei Xiang, Kunrui Zhu, Xiaonan Zhang, Hua Wu, Hui Li & Le Song

2023/10.09

mRNA sequence design、LinearDesign

Algorithm for Optimized mRNA Design Improves Stability and Immunogenicity

He Zhang, Liang Zhang, Ang Lin, Congcong Xu, Ziyu Li, Kaibo Liu, Boxiang Liu, Xiaopin Ma, Fanfan Zhao, Weiguo Yao, Hangwen Li, David H. Mathews, Yujian Zhang, Liang Huang

2023/05.02

Protein representation、Protein function prediction

Structure-aware protein self-supervised learning

Can (Sam) Chen, Jingbo Zhou, Fan Wang, Xue Liu, Dejing Dou

2023/04.13

Drug design、Hits discovery、HelixMO

HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive Latent Space

Zhiyuan Chen, Xiaomin Fang, Zixu Hua, Yueyang Huang, Fan Wang, Hua Wu

2022/11.16

Molecular property prediction、Graph contrastive learning、GeomGCL

GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction

Shuangli Li, Jingbo Zhou, Tong Xu, Dejing Dou, Hui Xiong

2022/08.16

Drug synergy preciction、DTYSyn、Drug reposition

DTSyn: a dual-transformer-based neural network to predict synergistic drug combinations

Jing Hu, Jie Gao, Xiaomin Fang, Zijing Liu, Fan Wang, Weili Huang, Hua Wu, Guodong Zhao

2022/08.01

Target-drug affinity prediction、Batch effect、BatchDTA

BatchDTA: implicit batch alignment enhances deep learning-based drug–target affinity estimation

Hongyu Luo, Yingfei Xiang, Xiaomin Fang, Wei Lin, Fan Wang, Hua Wu, Haifeng Wang

2022/07.07

ADMET property prediction、Pre-trained models、HelixADMET

HelixADMET: a robust and endpoint extensible ADMET system incorporating self-supervised knowledge transfer

Shanzhuo Zhang, Zhiyuan Yan, Yueyang Huang, Lihang Liu, Donglong He, Wei Wang, Xiaomin Fang, Xiaonan Zhang, Fan Wang, Hua Wu, Haifeng Wang

2022/05.23

Molecular representation foundation model、GEM

Geometry-enhanced molecular representation learning for property prediction

Xiaomin Fang, Lihang Liu, Jieqiong Lei, Donglong He, Shanzhuo Zhang, Jingbo Zhou, Fan Wang, Hua Wu & Haifeng Wang

2022/02.07

Spatial Transcriptomics

Analysis and Visualization of Spatial Transcriptomic Data

Boxiang Liu, Yanjun Li, Liang Zhang

2022/01.27

Multi-modal pre-trained model、Protein-protein interaction、S2F、Antigen-antibody affinity prediction、Mutation-driven PPI change prediction

Multimodal Pre-Training Model for Sequence-based Prediction of Protein-Protein Interaction

Yang Xue, Zijing Liu, Xiaomin Fang, Fan Wang

2022/01.07

Virtual screening

Docking-based Virtual Screening with Multi-Task Learning

Zijing Liu, Xianbin Ye, Xiaomin Fang, Fan Wang, Hua Wu, Haifeng Wang

2021/12.09

RNA secondary structure prediction、LinearTurboFold

LinearTurboFold: Linear-Time Global Prediction of Conserved Structures for RNA Homologs with Applications to SARS-CoV-2

Sizhen Li, He Zhang, Liang Zhang, Kaibo Liu, Boxiang Liu, David H. Mathews, Liang Huang

2021/11.28

Molecular property prediction、Few-shot Learning、PAR

Property-Aware Relation Networks for Few-Shot Molecular Property Prediction

Yaqing Wang, Abulikemu Abuduweili, Quanming Yao, Dejing Dou

2021/11.11

Target-drug affinity prediction、SIGN

Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity

Shuangli Li, Jingbo Zhou, Tong Xu, Liang Huang, Fan Wang, Haoyi Xiong, Weili Huang, Dejing Dou, Hui Xiong

2021/08.14

RNA secondary structure prediction、LinearPartition

LinearPartition: linear-time approximation of RNA folding partition function and base-pairing probabilities

He Zhang, Liang Zhang, David H Mathews, Liang Huang

2020/07.13

Genomic Analysis、CoV-Seq

CoV-Seq, a New Tool for SARS-CoV-2 Genome Analysis and Visualization: Development and Usability Study

Boxiang Liu, Kaibo Liu, He Zhang, Liang Zhang, Yuchen Bian, Liang Huang

2020/07.08

RNA secondary structure prediction、LinearFold

LinearFold: linear-time approximate RNA folding by 5'-to-3' dynamic programming and beam search

Liang Huang, He Zhang, Dezhong Deng, Kai Zhao, Kaibo Liu, David A Hendrix, David H Mathews

2019/07.05