Genomes and Genes

Species

Mark S P Sansom

Summary

Affiliation: University of Oxford
Country: UK

Publications

  1. Fowler P, Hélie J, Duncan A, Chavent M, Koldsø H, Sansom M. Membrane stiffness is modified by integral membrane proteins. Soft Matter. 2016;12:7792-7803 pubmed
    ..Our results suggest that integral membrane proteins can have different effects, and in the case of the bacterial outer membrane protein, BtuB, the greater the density of protein, the larger the reduction in stiffness. ..
  2. Ni T, Kalli A, Naughton F, Yates L, Naneh O, Kozorog M, et al. Structure and lipid-binding properties of the kindlin-3 pleckstrin homology domain. Biochem J. 2017;474:539-556 pubmed publisher
    ....
  3. Chavent M, Seiradake E, Jones E, Sansom M. Structures of the EphA2 Receptor at the Membrane: Role of Lipid Interactions. Structure. 2016;24:337-47 pubmed publisher
    ..Altogether, our data suggest that FN2 serves a dual function of interacting with anionic lipids and constraining the structure of the EphA2 ectodomain to adopt membrane-proximal configurations. ..
  4. Reddy T, Sansom M. Computational virology: From the inside out. Biochim Biophys Acta. 2016;1858:1610-8 pubmed publisher
    ..This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov. ..
  5. Hedger G, Sansom M. Lipid interaction sites on channels, transporters and receptors: Recent insights from molecular dynamics simulations. Biochim Biophys Acta. 2016;1858:2390-2400 pubmed publisher
    ..This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg. ..
  6. Chavent M, Duncan A, Sansom M. Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale. Curr Opin Struct Biol. 2016;40:8-16 pubmed publisher
    ..Current methods allow near atomic resolution simulations of small membrane organelles, and of enveloped viruses to be performed, revealing key aspects of their structure and functionally important dynamics. ..
  7. Trick J, Chelvaniththilan S, Klesse G, Aryal P, Wallace E, Tucker S, et al. Functional Annotation of Ion Channel Structures by Molecular Simulation. Structure. 2016;24:2207-2216 pubmed publisher
    ..e., non-conductive) state. We also illustrate the application of water equilibrium density simulations to annotate different conformational states of a glycine receptor. ..
  8. Aryal P, Jarerattanachat V, Clausen M, Schewe M, McClenaghan C, Argent L, et al. Bilayer-Mediated Structural Transitions Control Mechanosensitivity of the TREK-2 K2P Channel. Structure. 2017;25:708-718.e2 pubmed publisher
    ..Overall, this study provides a dynamic structural insight into K2P channel mechanosensitivity and illustrates how the structure of a eukaryotic mechanosensitive ion channel responds to changes in forces within the bilayer. ..
  9. Willems N, Lelimousin M, Skjold Jørgensen J, Svendsen A, Sansom M. The effect of mutations in the lid region of Thermomyces lanuginosus lipase on interactions with triglyceride surfaces: A multi-scale simulation study. Chem Phys Lipids. 2018;211:4-15 pubmed publisher
    ....
  10. Naughton F, Kalli A, Sansom M. Modes of Interaction of Pleckstrin Homology Domains with Membranes: Toward a Computational Biochemistry of Membrane Recognition. J Mol Biol. 2017;: pubmed publisher
    ..These simulations demonstrate that simultaneous binding of multiple PIP molecules by PH domains contributes to high-affinity membrane interactions, informing our understanding of membrane recognition by PH domains in vivo. ..

Detail Information

Publications15

  1. Fowler P, Hélie J, Duncan A, Chavent M, Koldsø H, Sansom M. Membrane stiffness is modified by integral membrane proteins. Soft Matter. 2016;12:7792-7803 pubmed
    ..Our results suggest that integral membrane proteins can have different effects, and in the case of the bacterial outer membrane protein, BtuB, the greater the density of protein, the larger the reduction in stiffness. ..
  2. Ni T, Kalli A, Naughton F, Yates L, Naneh O, Kozorog M, et al. Structure and lipid-binding properties of the kindlin-3 pleckstrin homology domain. Biochem J. 2017;474:539-556 pubmed publisher
    ....
  3. Chavent M, Seiradake E, Jones E, Sansom M. Structures of the EphA2 Receptor at the Membrane: Role of Lipid Interactions. Structure. 2016;24:337-47 pubmed publisher
    ..Altogether, our data suggest that FN2 serves a dual function of interacting with anionic lipids and constraining the structure of the EphA2 ectodomain to adopt membrane-proximal configurations. ..
  4. Reddy T, Sansom M. Computational virology: From the inside out. Biochim Biophys Acta. 2016;1858:1610-8 pubmed publisher
    ..This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov. ..
  5. Hedger G, Sansom M. Lipid interaction sites on channels, transporters and receptors: Recent insights from molecular dynamics simulations. Biochim Biophys Acta. 2016;1858:2390-2400 pubmed publisher
    ..This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg. ..
  6. Chavent M, Duncan A, Sansom M. Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale. Curr Opin Struct Biol. 2016;40:8-16 pubmed publisher
    ..Current methods allow near atomic resolution simulations of small membrane organelles, and of enveloped viruses to be performed, revealing key aspects of their structure and functionally important dynamics. ..
  7. Trick J, Chelvaniththilan S, Klesse G, Aryal P, Wallace E, Tucker S, et al. Functional Annotation of Ion Channel Structures by Molecular Simulation. Structure. 2016;24:2207-2216 pubmed publisher
    ..e., non-conductive) state. We also illustrate the application of water equilibrium density simulations to annotate different conformational states of a glycine receptor. ..
  8. Aryal P, Jarerattanachat V, Clausen M, Schewe M, McClenaghan C, Argent L, et al. Bilayer-Mediated Structural Transitions Control Mechanosensitivity of the TREK-2 K2P Channel. Structure. 2017;25:708-718.e2 pubmed publisher
    ..Overall, this study provides a dynamic structural insight into K2P channel mechanosensitivity and illustrates how the structure of a eukaryotic mechanosensitive ion channel responds to changes in forces within the bilayer. ..
  9. Willems N, Lelimousin M, Skjold Jørgensen J, Svendsen A, Sansom M. The effect of mutations in the lid region of Thermomyces lanuginosus lipase on interactions with triglyceride surfaces: A multi-scale simulation study. Chem Phys Lipids. 2018;211:4-15 pubmed publisher
    ....
  10. Naughton F, Kalli A, Sansom M. Modes of Interaction of Pleckstrin Homology Domains with Membranes: Toward a Computational Biochemistry of Membrane Recognition. J Mol Biol. 2017;: pubmed publisher
    ..These simulations demonstrate that simultaneous binding of multiple PIP molecules by PH domains contributes to high-affinity membrane interactions, informing our understanding of membrane recognition by PH domains in vivo. ..
  11. Reddy T, Sansom M. The Role of the Membrane in the Structure and Biophysical Robustness of the Dengue Virion Envelope. Structure. 2016;24:375-82 pubmed publisher
    ..Biophysical robustness of the envelope may confer resilience to environmental perturbations. ..
  12. Yamamoto E, Kalli A, Yasuoka K, Sansom M. Interactions of Pleckstrin Homology Domains with Membranes: Adding Back the Bilayer via High-Throughput Molecular Dynamics. Structure. 2016;24:1421-1431 pubmed publisher
    ..This provides a global picture of PH domain interactions with membranes. The high-throughput approach could be extended to other families of peripheral membrane proteins. ..
  13. Kalli A, Rog T, Vattulainen I, Campbell I, Sansom M. The Integrin Receptor in Biologically Relevant Bilayers: Insights from Molecular Dynamics Simulations. J Membr Biol. 2017;250:337-351 pubmed publisher
    ..This may in part regulate the interactions of integrins with other related proteins or integrin clustering thus facilitating signal transduction across cell membranes. ..
  14. Willems N, Lelimousin M, Koldsø H, Sansom M. Interfacial activation of M37 lipase: A multi-scale simulation study. Biochim Biophys Acta. 2017;1859:340-349 pubmed publisher
    ..The exposure of hydrophobic residues within lid and active site flap regions (residues 94-110) during the activation process provides insights into the functional effect of hydrophobic surfaces on lipase activation. ..
  15. Duncan A, Reddy T, Koldsø H, Hélie J, Fowler P, Chavent M, et al. Protein crowding and lipid complexity influence the nanoscale dynamic organization of ion channels in cell membranes. Sci Rep. 2017;7:16647 pubmed publisher
    ..This interplay between the diffusion and the dynamic organization of Kir channels may have important implications for channel function. ..