Izhar Wallach

Summary

Affiliation: University of Toronto
Country: Canada

Publications

  1. doi request reprint The protein-small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding
    Izhar Wallach
    Department of Computer Science, University of Toronto, Toronto, Ontario, Canada
    Bioinformatics 25:615-20. 2009
  2. pmc Prediction of sub-cavity binding preferences using an adaptive physicochemical structure representation
    Izhar Wallach
    Department of Computer Science, Donnelly Centre for Cellular and Biomolecular Research and Banting and Best, University of Toronto, Toronto, Ontario, Canada
    Bioinformatics 25:i296-304. 2009
  3. doi request reprint Predicting multiple ligand binding modes using self-consistent pharmacophore hypotheses
    Izhar Wallach
    Department of Computer Science, Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, Ontario, Canada
    J Chem Inf Model 49:2116-28. 2009
  4. pmc A structure-based approach for mapping adverse drug reactions to the perturbation of underlying biological pathways
    Izhar Wallach
    Department of Computer Science, University of Toronto, Toronto, Ontario, Canada
    PLoS ONE 5:e12063. 2010
  5. doi request reprint Normalizing molecular docking rankings using virtually generated decoys
    Izhar Wallach
    Department of Computer Science, University of Toronto, Toronto, Ontario, Canada
    J Chem Inf Model 51:1817-30. 2011

Detail Information

Publications5

  1. doi request reprint The protein-small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding
    Izhar Wallach
    Department of Computer Science, University of Toronto, Toronto, Ontario, Canada
    Bioinformatics 25:615-20. 2009
    ..Consequently, the quality of the model is dependent on the quality of the structural library. An ideal library should be non-biased and comprehensive, contain high-resolution structures and be actively maintained...
  2. pmc Prediction of sub-cavity binding preferences using an adaptive physicochemical structure representation
    Izhar Wallach
    Department of Computer Science, Donnelly Centre for Cellular and Biomolecular Research and Banting and Best, University of Toronto, Toronto, Ontario, Canada
    Bioinformatics 25:i296-304. 2009
    ..By only requiring local structural similarity, we are able to leverage previously unused structural information and perform binding inference for proteins that do not share significant structural similarity with known systems...
  3. doi request reprint Predicting multiple ligand binding modes using self-consistent pharmacophore hypotheses
    Izhar Wallach
    Department of Computer Science, Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, Ontario, Canada
    J Chem Inf Model 49:2116-28. 2009
    ..5-1.0 A (up to 25%) RMSD over the naive virtual docking predictions. Our algorithm is independent of the docking method and may significantly improve binding mode prediction of virtual docking experiments...
  4. pmc A structure-based approach for mapping adverse drug reactions to the perturbation of underlying biological pathways
    Izhar Wallach
    Department of Computer Science, University of Toronto, Toronto, Ontario, Canada
    PLoS ONE 5:e12063. 2010
    ..Our method yielded 185 ADR-pathway associations of which 45 were selected to undergo a manual literature review. We found 32 associations to be supported by the scientific literature...
  5. doi request reprint Normalizing molecular docking rankings using virtually generated decoys
    Izhar Wallach
    Department of Computer Science, University of Toronto, Toronto, Ontario, Canada
    J Chem Inf Model 51:1817-30. 2011
    ....