Pedro J Ballester

Summary

Affiliation: University of Oxford
Country: UK

Publications

  1. ncbi Ultrafast shape recognition to search compound databases for similar molecular shapes
    Pedro J Ballester
    Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, OX1 3QZ, United Kingdom
    J Comput Chem 28:1711-23. 2007
  2. ncbi Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases
    Pedro J Ballester
    Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, UK
    J R Soc Interface 7:335-42. 2010
  3. ncbi Ultrafast shape recognition: evaluating a new ligand-based virtual screening technology
    Pedro J Ballester
    Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, UK
    J Mol Graph Model 27:836-45. 2009

Detail Information

Publications3

  1. ncbi Ultrafast shape recognition to search compound databases for similar molecular shapes
    Pedro J Ballester
    Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, OX1 3QZ, United Kingdom
    J Comput Chem 28:1711-23. 2007
    ..Despite its extremely fast comparison rate, USR will be shown to be highly accurate at describing, and hence comparing, molecular shapes...
  2. ncbi Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases
    Pedro J Ballester
    Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, UK
    J R Soc Interface 7:335-42. 2010
    ..A small number of the predicted active compounds were purchased and tested obtaining a confirmed hit rate of 40 per cent which is an outstanding result for a prospective virtual screening...
  3. ncbi Ultrafast shape recognition: evaluating a new ligand-based virtual screening technology
    Pedro J Ballester
    Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, UK
    J Mol Graph Model 27:836-45. 2009
    ....