Tiejun Cheng

Summary

Affiliation: Shanghai Institute of Organic Chemistry
Country: China

Publications

  1. pmc A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction
    Tiejun Cheng
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, PR China
    BMC Bioinformatics 11:193. 2010
  2. doi request reprint Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes
    Xun Li
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, People s Republic of China
    J Comput Chem 31:2109-25. 2010
  3. doi request reprint Comparative assessment of scoring functions on a diverse test set
    Tiejun Cheng
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P R China
    J Chem Inf Model 49:1079-93. 2009
  4. ncbi request reprint Computation of octanol-water partition coefficients by guiding an additive model with knowledge
    Tiejun Cheng
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 354 Fenglin Road, Shanghai, P R China
    J Chem Inf Model 47:2140-8. 2007
  5. ncbi request reprint Automatic perception of organic molecules based on essential structural information
    Yuan Zhao
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 354 Fenglin Road, Shanghai 200032, People s Republic of China
    J Chem Inf Model 47:1379-85. 2007

Collaborators

Detail Information

Publications5

  1. pmc A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction
    Tiejun Cheng
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, PR China
    BMC Bioinformatics 11:193. 2010
    ..Thus, some uncertain factors in protein-ligand binding may cancel out, resulting in a more accurate prediction of absolute binding constants...
  2. doi request reprint Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes
    Xun Li
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, People s Republic of China
    J Comput Chem 31:2109-25. 2010
    ..Our evaluation can help other researchers to make reasonable choices among available molecular docking programs. It is also valuable for program developers to improve their methods further...
  3. doi request reprint Comparative assessment of scoring functions on a diverse test set
    Tiejun Cheng
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P R China
    J Chem Inf Model 49:1079-93. 2009
    ..Our results indicate that no single scoring function consistently outperforms others in all three aspects. Thus, it is important in practice to choose the appropriate scoring functions for different purposes...
  4. ncbi request reprint Computation of octanol-water partition coefficients by guiding an additive model with knowledge
    Tiejun Cheng
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 354 Fenglin Road, Shanghai, P R China
    J Chem Inf Model 47:2140-8. 2007
    ..It is also able to utilize the ever-increasing experimentally measured logP data more effectively...
  5. ncbi request reprint Automatic perception of organic molecules based on essential structural information
    Yuan Zhao
    State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 354 Fenglin Road, Shanghai 200032, People s Republic of China
    J Chem Inf Model 47:1379-85. 2007
    ..I-interpret also provides users some optional functions, which makes it more flexible and powerful in practice. It may serve as a valuable tool for processing chemical structures in molecular modeling...