MR2CPPIS: Accurate prediction of protein-protein interaction sites based on multi-scale Res2Net with coordinate attention mechanism.

Journal: Computers in biology and medicine
PMID:

Abstract

Proteins play a vital role in various biological processes and achieve their functions through protein-protein interactions (PPIs). Thus, accurate identification of PPI sites is essential. Traditional biological methods for identifying PPIs are costly, labor-intensive, and time-consuming. The development of computational prediction methods for PPI sites offers promising alternatives. Most known deep learning (DL) methods employ layer-wise multi-scale CNNs to extract features from protein sequences. But, these methods usually neglect the spatial positions and hierarchical information embedded within protein sequences, which are actually crucial for PPI site prediction. In this paper, we propose MR2CPPIS, a novel sequence-based DL model that utilizes the multi-scale Res2Net with coordinate attention mechanism to exploit multi-scale features and enhance PPI site prediction capability. We leverage the multi-scale Res2Net to expand the receptive field for each network layer, thus capturing multi-scale information of protein sequences at a granular level. To further explore the local contextual features of each target residue, we employ a coordinate attention block to characterize the precise spatial position information, enabling the network to effectively extract long-range dependencies. We evaluate our MR2CPPIS on three public benchmark datasets (Dset 72, Dset 186, and PDBset 164), achieving state-of-the-art performance. The source codes are available at https://github.com/YyinGong/MR2CPPIS.

Authors

  • Yinyin Gong
    College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, China; Hunan Engineering Research Center of Advanced Embedded Computing and Intelligent Medical Systems, Hunan University, Changsha, 410082, China.
  • Rui Li
    Department of Oncology, Xiyuan Hospital, China Academy of Chinese Medical Science, Beijing, China.
  • Yan Liu
    Department of Clinical Microbiology, Shanghai Tenth People's Hospital, School of Medicine, Tongji University, Shanghai, 200072, People's Republic of China.
  • Jilong Wang
    Peng Cheng Laboratory, Shenzhen, 518066, China.
  • Buwen Cao
  • Xiangzheng Fu
  • Renfa Li
    College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, China; Hunan Engineering Research Center of Advanced Embedded Computing and Intelligent Medical Systems, Hunan University, Changsha, 410082, China.
  • Danny Z Chen
    Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, IN 46556.