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Yuzhe Zhou

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AAAI Conference 2024 Conference Paper

CrossBind: Collaborative Cross-Modal Identification of Protein Nucleic-Acid-Binding Residues

  • Linglin Jing
  • Sheng Xu
  • Yifan Wang
  • Yuzhe Zhou
  • Tao Shen
  • Zhigang Ji
  • Hui Fang
  • Zhen Li

Accurate identification of protein nucleic acid binding residues poses a significant challenge with important implications for various biological processes and drug design. Many typical computational methods for protein analysis rely on a single model that could ignore either the semantic context of the protein or the global 3D geometric information. Consequently, these approaches may result in incomplete or inaccurate protein analysis. To address the above issue, in this paper, we present CrossBind, a novel collaborative cross modal approach for identifying binding residues by exploiting both protein geometric structure and its sequence prior knowledge extracted from a large scale protein language model. Specifically, our multi modal approach leverages a contrastive learning technique and atom wise attention to capture the positional relationships between atoms and residues, thereby incorporating fine grained local geometric knowledge, for better binding residue prediction. Extensive experimental results demonstrate that our approach outperforms the next best state of the art methods, GraphSite and GraphBind, on DNA and RNA datasets by 10.8/17.3% in terms of the harmonic mean of precision and recall (F1 Score) and 11.9/24.8% in Matthews correlation coefficient (MCC), respectively. We release the code at https://github.com/BEAM-Labs/CrossBind.

AAAI Conference 2022 Conference Paper

Contact-Distil: Boosting Low Homologous Protein Contact Map Prediction by Self-Supervised Distillation

  • Qin Wang
  • Jiayang Chen
  • Yuzhe Zhou
  • Yu Li
  • Liangzhen Zheng
  • Sheng Wang
  • Zhen Li
  • Shuguang Cui

Accurate protein contact map prediction (PCMP) is essential for precise protein structure estimation and further biological studies. Recent works achieve significant performance on this task with high quality multiple sequence alignment (MSA). However, the PCMP accuracy drops dramatically while only poor MSA (e. g. , absolute MSA count less than 10) is available. Therefore, in this paper, we propose the Contact-Distil to improve the low homologous PCMP accuracy through knowledge distillation on a self-supervised model. Particularly, two pre-trained transformers are exploited to learn the high quality and low quality MSA representation in parallel for the teacher and student model correspondingly. Besides, the co-evolution information is further extracted from pure sequence through a pretrained ESM-1b model, which provides auxiliary knowledge to improve student performance. Extensive experiments show Contact-Distil outperforms previous state-of-the-arts by large margins on CAMEO-L dataset for low homologous PCMP, i. e. , around 13. 3% and 9. 5% improvements against Alphafold2 and MSA Transformer respectively when MSA count less than 10.

v2026.09.13