no code implementations • 16 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.
no code implementations • 21 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.
1 code implementation • 28 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.
no code implementations • 10 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.
no code implementations • 17 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.
no code implementations • 6 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.