Research Topics
| Peter J WinnSummaryAffiliation: EML Research Country: Germany Publications
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Detail Information
Publications
Structural and electrostatic properties of ubiquitination and related pathwaysPeter 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...
Protein-protein docking by simulating the process of association subject to biochemical constraintsDomantas 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...- The ins and outs of cytochrome P450sVlad 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... - A survey of active site access channels in cytochromes P450Rebecca 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... 
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....- Multiple molecular recognition mechanisms. Cytochrome P450--a case studyRebecca 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... - Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried argininePeter 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... - Determinants of functionality in the ubiquitin conjugating enzyme familyPeter 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... - Classical polarization in hybrid QM/MM methodsChristopher J R Illingworth
Department of Biological Sciences, University of Essex, Wivenhoe Park, Colchester CO4 3SQ, UK
J Phys Chem A 110:6487-97. 2006....