Paul C D Hawkins

Summary

Affiliation: OpenEye Scientific Software
Country: USA

Publications

  1. doi request reprint Conformer generation with OMEGA: learning from the data set and the analysis of failures
    Paul C D Hawkins
    OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508, USA
    J Chem Inf Model 52:2919-36. 2012
  2. ncbi request reprint Comparison of shape-matching and docking as virtual screening tools
    Paul C D Hawkins
    OpenEye Scientific Software, Santa Fe, New Mexico 87507, USA
    J Med Chem 50:74-82. 2007
  3. pmc How to do an evaluation: pitfalls and traps
    Paul C D Hawkins
    OpenEye Scientific Software, 9, Bisbee Court, Suite D, Santa Fe, NM 87508, USA
    J Comput Aided Mol Des 22:179-90. 2008
  4. pmc Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database
    Paul C D Hawkins
    OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508, USA
    J Chem Inf Model 50:572-84. 2010

Detail Information

Publications4

  1. doi request reprint Conformer generation with OMEGA: learning from the data set and the analysis of failures
    Paul C D Hawkins
    OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508, USA
    J Chem Inf Model 52:2919-36. 2012
    ....
  2. ncbi request reprint Comparison of shape-matching and docking as virtual screening tools
    Paul C D Hawkins
    OpenEye Scientific Software, Santa Fe, New Mexico 87507, USA
    J Med Chem 50:74-82. 2007
    ..The results show that a shape-based, ligand-centric approach is more consistent than, and often superior to, the protein-centric approach taken by docking...
  3. pmc How to do an evaluation: pitfalls and traps
    Paul C D Hawkins
    OpenEye Scientific Software, 9, Bisbee Court, Suite D, Santa Fe, NM 87508, USA
    J Comput Aided Mol Des 22:179-90. 2008
    ....
  4. pmc Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database
    Paul C D Hawkins
    OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508, USA
    J Chem Inf Model 50:572-84. 2010
    ..OMEGA is found to perform very well in reproducing the crystallographic conformations from both these data sets using two complementary metrics of success...