Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation

@article{Wang2011ComputationalSF,
  title={Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation},
  author={Fei Wang and DongXiang Liu and Heyao Wang and Cheng Luo and Mingyue Zheng and Hong Liu and Weiliang Zhu and Xiaomin Luo and Jian Zhang and Hualiang Jiang},
  journal={Journal of chemical information and modeling},
  year={2011},
  volume={51 11},
  pages={2821-8}
}
The three-dimensional (3D) structures of most protein targets have not been determined so far, with many of them not even having a known ligand, a truly general method to predict ligand-protein interactions in the absence of three-dimensional information would be of great potential value in drug discovery. Using the support vector machine (SVM) approach, we constructed a model for predicting ligand-protein interaction based only on the primary sequence of proteins and the structural features of… CONTINUE READING