Search Results for author: Xiaonan Zhang

Found 6 papers, 1 papers with code

HelixFold-Multimer: Elevating Protein Complex Structure Prediction to New Heights

no code implementations16 Apr 2024 Xiaomin Fang, Jie Gao, Jing Hu, Lihang Liu, Yang Xue, Xiaonan Zhang, Kunrui Zhu

While monomer protein structure prediction tools boast impressive accuracy, the prediction of protein complex structures remains a daunting challenge in the field.

Protein Structure Prediction

Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models

no code implementations21 Oct 2023 Lihang Liu, Donglong He, Xianbin Ye, Jingbo Zhou, Shanzhuo Zhang, Xiaonan Zhang, Jun Li, Hua Chai, Fan Wang, Jingzhou He, Liang Zheng, Yonghui Li, Xiaomin Fang

In this work, we show that by pre-training a geometry-aware SE(3)-Equivariant neural network on a large-scale docking conformation generated by traditional physics-based docking tools and then fine-tuning with a limited set of experimentally validated receptor-ligand complexes, we can achieve outstanding performance.

Drug Discovery Molecular Docking

HelixFold-Single: MSA-free Protein Structure Prediction by Using Protein Language Model as an Alternative

1 code implementation28 Jul 2022 Xiaomin Fang, Fan Wang, Lihang Liu, Jingzhou He, Dayong Lin, Yingfei Xiang, Xiaonan Zhang, Hua Wu, Hui Li, Le Song

Our proposed method, HelixFold-Single, first pre-trains a large-scale protein language model (PLM) with thousands of millions of primary sequences utilizing the self-supervised learning paradigm, which will be used as an alternative to MSAs for learning the co-evolution information.

Protein Language Model Protein Structure Prediction +1

TCR: A Transformer Based Deep Network for Predicting Cancer Drugs Response

no code implementations10 Jul 2022 Jie Gao, Jing Hu, Wanqing Sun, Yili Shen, Xiaonan Zhang, Xiaomin Fang, Fan Wang, Guodong Zhao

Our study highlights the prediction power of TCR and its potential value for cancer drug repurpose and precision oncology treatment.

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

no code implementations17 May 2022 Shanzhuo Zhang, Zhiyuan Yan, Yueyang Huang, Lihang Liu, Donglong He, Wei Wang, Xiaomin Fang, Xiaonan Zhang, Fan Wang, Hua Wu, Haifeng Wang

Additionally, the pre-trained model provided by H-ADMET can be fine-tuned to generate new and customised ADMET endpoints, meeting various demands of drug research and development requirements.

Drug Discovery Self-Supervised Learning +1

Study on MCS Selection and Spectrum Allocation for URLLC Traffic under Delay and Reliability Constraint in 5G Network

no code implementations6 Jan 2021 Yuehong Gao, Changhao Sun, Xiaonan Zhang, Xiao Hong

Theoretical results in the scenario of a 5G New Radio system are presented, where the SNR thresholds for adaptive modulation and coding scheme selection, transmission rate and delay, as well as admission region under different configurations are discussed.

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