D W Ritchie

Summary

Affiliation: University of Aberdeen
Country: UK

Publications

  1. ncbi request reprint Modelling antibody side chain conformations using heuristic database search
    D W Ritchie
    Department of Computing Science, King s College, University of Aberdeen, UK
    Proc Int Conf Intell Syst Mol Biol 5:237-40. 1997
  2. ncbi request reprint Protein docking using spherical polar Fourier correlations
    D W Ritchie
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen, United Kingdom
    Proteins 39:178-94. 2000
  3. ncbi request reprint Evaluation of protein docking predictions using Hex 3.1 in CAPRI rounds 1 and 2
    David W Ritchie
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen, United Kingdom
    Proteins 52:98-106. 2003
  4. ncbi request reprint Recent progress and future directions in protein-protein docking
    David W Ritchie
    Department of Computing Science, University of Aberdeen, Aberdeen, AB24 3UE, Scotland, UK
    Curr Protein Pept Sci 9:1-15. 2008
  5. ncbi request reprint Docking essential dynamics eigenstructures
    Diana Mustard
    Department of Computing Science, University of Aberdeen, Aberdeen, Scotland, UK
    Proteins 60:269-74. 2005
  6. ncbi request reprint Analysis of fish IL-1beta and derived peptide sequences indicates conserved structures with species-specific IL-1 receptor binding: implications for pharmacological design
    Antonis I Koussounadis
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen AB24 3UE, UK
    Curr Pharm Des 10:3857-71. 2004
  7. pmc Accelerating and focusing protein-protein docking correlations using multi-dimensional rotational FFT generating functions
    David W Ritchie
    Department of Computing Science, University of Aberdeen, Aberdeen, Scotland, UK
    Bioinformatics 24:1865-73. 2008
  8. ncbi request reprint Toward high throughput 3D virtual screening using spherical harmonic surface representations
    Lazaros Mavridis
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen AB24 3UE, UK
    J Chem Inf Model 47:1787-96. 2007
  9. pmc HexServer: an FFT-based protein docking server powered by graphics processors
    Gary Macindoe
    Department of Computing Science, Lillybank Gardens, University of Glasgow, G12 8QQ Scotland, UK
    Nucleic Acids Res 38:W445-9. 2010
  10. doi request reprint Comparison of ligand-based and receptor-based virtual screening of HIV entry inhibitors for the CXCR4 and CCR5 receptors using 3D ligand shape matching and ligand-receptor docking
    Violeta I Pérez-Nueno
    Grup d Enginyeria Molecular, Institut Quimic de Sarria IQS, Universitat Ramon Llull, Barcelona, Spain
    J Chem Inf Model 48:509-33. 2008

Collaborators

Detail Information

Publications10

  1. ncbi request reprint Modelling antibody side chain conformations using heuristic database search
    D W Ritchie
    Department of Computing Science, King s College, University of Aberdeen, UK
    Proc Int Conf Intell Syst Mol Biol 5:237-40. 1997
    ..We expect our approach could be used with other homologous protein families, in addition to antibodies, both to improve the quality of model structures and to give a "smart start" to the side chain placement problem...
  2. ncbi request reprint Protein docking using spherical polar Fourier correlations
    D W Ritchie
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen, United Kingdom
    Proteins 39:178-94. 2000
    ..The correct conformation of the complex is frequently identified when docking bound subunits, and a good docking orientation is ranked within the top 20 in 11 out of 18 cases when starting from unbound subunits. Proteins 2000;39:178-194...
  3. ncbi request reprint Evaluation of protein docking predictions using Hex 3.1 in CAPRI rounds 1 and 2
    David W Ritchie
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen, United Kingdom
    Proteins 52:98-106. 2003
    ..This finding shows that useful in silico protein-protein docking predictions can now be made with increasing confidence, even for very large macromolecular complexes...
  4. ncbi request reprint Recent progress and future directions in protein-protein docking
    David W Ritchie
    Department of Computing Science, University of Aberdeen, Aberdeen, AB24 3UE, Scotland, UK
    Curr Protein Pept Sci 9:1-15. 2008
    ....
  5. ncbi request reprint Docking essential dynamics eigenstructures
    Diana Mustard
    Department of Computing Science, University of Aberdeen, Aberdeen, Scotland, UK
    Proteins 60:269-74. 2005
    ..Some suggestions to improve this promising new approach are presented...
  6. ncbi request reprint Analysis of fish IL-1beta and derived peptide sequences indicates conserved structures with species-specific IL-1 receptor binding: implications for pharmacological design
    Antonis I Koussounadis
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen AB24 3UE, UK
    Curr Pharm Des 10:3857-71. 2004
    ..Further analysis of the IL-1 system may prove useful in engineering IL-1 with improved features and in suggesting new avenues for therapeutic intervention...
  7. pmc Accelerating and focusing protein-protein docking correlations using multi-dimensional rotational FFT generating functions
    David W Ritchie
    Department of Computing Science, University of Aberdeen, Aberdeen, Scotland, UK
    Bioinformatics 24:1865-73. 2008
    ..Hence there is a need to develop more powerful and more versatile FFT docking techniques...
  8. ncbi request reprint Toward high throughput 3D virtual screening using spherical harmonic surface representations
    Lazaros Mavridis
    Department of Computing Science, King s College, University of Aberdeen, Aberdeen AB24 3UE, UK
    J Chem Inf Model 47:1787-96. 2007
    ..The approach described is currently being extended to allow the rapid search and comparison of arbitrary combinations of molecular surface properties...
  9. pmc HexServer: an FFT-based protein docking server powered by graphics processors
    Gary Macindoe
    Department of Computing Science, Lillybank Gardens, University of Glasgow, G12 8QQ Scotland, UK
    Nucleic Acids Res 38:W445-9. 2010
    ..The server is publicly available and does not require any registration or identification by the user...
  10. doi request reprint Comparison of ligand-based and receptor-based virtual screening of HIV entry inhibitors for the CXCR4 and CCR5 receptors using 3D ligand shape matching and ligand-receptor docking
    Violeta I Pérez-Nueno
    Grup d Enginyeria Molecular, Institut Quimic de Sarria IQS, Universitat Ramon Llull, Barcelona, Spain
    J Chem Inf Model 48:509-33. 2008
    ..The results obtained for CCR5 suggest the possibility that different active scaffolds bind in different ways within the CCR5 pocket...