Peter J Winn

Summary

Affiliation: EML Research
Country: Germany

Publications

  1. ncbi request reprint Structural and electrostatic properties of ubiquitination and related pathways
    Peter J Winn
    EML Research gGmbH, Villa Bosch, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Front Biosci 12:3419-30. 2007
  2. doi request reprint Protein-protein docking by simulating the process of association subject to biochemical constraints
    Domantas Motiejunas
    EML Research gGmbH, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Proteins 71:1955-69. 2008
  3. ncbi request reprint The ins and outs of cytochrome P450s
    Vlad Cojocaru
    Molecular and Cellular Modeling Group, EML Research, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Biochim Biophys Acta 1770:390-401. 2007
  4. ncbi request reprint A survey of active site access channels in cytochromes P450
    Rebecca C Wade
    Molecular and Cellular Modeling, EML Research, Villa Bosch, Schloss Wolfsbrunnenweg 33, 69118, Heidelberg, Germany
    J Inorg Biochem 98:1175-82. 2004
  5. pmc Do mammalian cytochrome P450s show multiple ligand access pathways and ligand channelling?
    Karin Schleinkofer
    EML Research gGmbH, Villa Bosch, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    EMBO Rep 6:584-9. 2005
  6. ncbi request reprint Multiple molecular recognition mechanisms. Cytochrome P450--a case study
    Rebecca C Wade
    Molecular and Cellular Modeling Group, EML Research, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Biochim Biophys Acta 1754:239-44. 2005
  7. pmc Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried arginine
    Peter J Winn
    European Molecular Biology Laboratory, Meyerhofstrasse 1, 69117 Heidelberg, Germany
    Proc Natl Acad Sci U S A 99:5361-6. 2002
  8. ncbi request reprint Determinants of functionality in the ubiquitin conjugating enzyme family
    Peter J Winn
    European Molecular Biology Laboratory, Meyerhofstrasse 1, 69117 Heidelberg, Germany
    Structure 12:1563-74. 2004
  9. ncbi request reprint Classical polarization in hybrid QM/MM methods
    Christopher J R Illingworth
    Department of Biological Sciences, University of Essex, Wivenhoe Park, Colchester CO4 3SQ, UK
    J Phys Chem A 110:6487-97. 2006

Collaborators

Detail Information

Publications9

  1. ncbi request reprint Structural and electrostatic properties of ubiquitination and related pathways
    Peter J Winn
    EML Research gGmbH, Villa Bosch, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Front Biosci 12:3419-30. 2007
    ..embl-heidelberg.de/). A brief overview of molecular electrostatic potentials and their application to understanding protein function is also given...
  2. doi request reprint Protein-protein docking by simulating the process of association subject to biochemical constraints
    Domantas Motiejunas
    EML Research gGmbH, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Proteins 71:1955-69. 2008
    ..Detailed examination of all the docking cases gives insights into important determinants of the performance of the computational approach in modeling protein-protein association and predicting of protein-protein complex structures...
  3. ncbi request reprint The ins and outs of cytochrome P450s
    Vlad Cojocaru
    Molecular and Cellular Modeling Group, EML Research, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Biochim Biophys Acta 1770:390-401. 2007
    ..Significant differences were observed between the channels in the crystal structures of the mammalian and bacterial enzymes. The multiplicity of channels suggests possibilities for substrate channelling to and from the P450s...
  4. ncbi request reprint A survey of active site access channels in cytochromes P450
    Rebecca C Wade
    Molecular and Cellular Modeling, EML Research, Villa Bosch, Schloss Wolfsbrunnenweg 33, 69118, Heidelberg, Germany
    J Inorg Biochem 98:1175-82. 2004
    ..We also discuss how the location of xenon binding sites in CYP101 suggests a role for one of the pathways identified by molecular dynamics simulations as a route for gaseous species, such as oxygen, to access the active site...
  5. pmc Do mammalian cytochrome P450s show multiple ligand access pathways and ligand channelling?
    Karin Schleinkofer
    EML Research gGmbH, Villa Bosch, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    EMBO Rep 6:584-9. 2005
    ....
  6. ncbi request reprint Multiple molecular recognition mechanisms. Cytochrome P450--a case study
    Rebecca C Wade
    Molecular and Cellular Modeling Group, EML Research, Schloss Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
    Biochim Biophys Acta 1754:239-44. 2005
    ..These interactions exemplify some of the diversity of molecular determinants of binding affinity and specificity observed for proteins and we discuss some of the challenges that they pose for molecular modelling and simulation...
  7. pmc Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried arginine
    Peter J Winn
    European Molecular Biology Laboratory, Meyerhofstrasse 1, 69117 Heidelberg, Germany
    Proc Natl Acad Sci U S A 99:5361-6. 2002
    ..The results for these three P450s suggest that the channel opening mechanisms are adjusted to the physico-chemical properties of the substrate and can kinetically modulate protein-substrate specificity...
  8. ncbi request reprint Determinants of functionality in the ubiquitin conjugating enzyme family
    Peter J Winn
    European Molecular Biology Laboratory, Meyerhofstrasse 1, 69117 Heidelberg, Germany
    Structure 12:1563-74. 2004
    ..The specificities of only the ScUbc4/Ubc5 and ScUbc1p orthologs are reflected in their L4 and L7 loops...
  9. ncbi request reprint Classical polarization in hybrid QM/MM methods
    Christopher J R Illingworth
    Department of Biological Sciences, University of Essex, Wivenhoe Park, Colchester CO4 3SQ, UK
    J Phys Chem A 110:6487-97. 2006
    ....