Location of Repository

Computer simulation of partitioning of ten pentapeptides Ace-WLXLL at the cyclohexane/water and phospholipid/water interfaces

By Marcela P Aliste and D Peter Tieleman
Topics: Research Article
Publisher: BioMed Central
OAI identifier: oai:pubmedcentral.nih.gov:1351180
Provided by: PubMed Central
Download PDF:
Sorry, we are unable to provide the full text but you may find it at the following location(s):
  • http://www.pubmedcentral.nih.g... (external link)
  • Suggested articles



    1. (2002). AE: Calculation of the free energy of solvation for neutral analogs of amino acid side chains.
    2. (2005). AE: Folding is not required for bilayer insertion: replica exchange simulations of an alphahelical peptide with an explicit lipid bilayer. Proteins
    3. (2002). Ben-Tal N: Free energy determinants of peptide association with lipids bilayers. Current Topics in Membranes
    4. (2005). C: 2H-NMR study and molecular dynamics simulation of the location, alignment, and mobility of pyrene in POPC bilayers.
    5. (2005). CL: Interfacial folding and membrane insertion of designed peptides studied by molecular dynamics simulations.
    6. (2003). Fusion peptides and the mechanism of viral fusion. Biochim Biophys Acta
    7. (2001). GROMACS 3.0: a package for molecular simulation and trajectory analysis.
    8. (2001). Gunsteren WF: An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase.
    9. (1984). Haak JR: Molecular dynamics with a coupling to an external bath.
    10. (1999). HJC: Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems.
    11. (1998). HJC: Lipid properties and the orientation of aromatic residues in OmpF, influenza M2, and alamethicin systems: Molecular dynamics simulations. Biochemistry
    12. (1996). HJC: Membranes and water: an interesting relationship. Faraday Discussions
    13. (1984). JPM: A consistent empirical potential for water-protein interactions. Biopolymers
    14. (1997). LINCS: A linear constraint solver for molecular simulations.
    15. (2003). Marrink SJ: Methodological issues in lipid bilayer simulations.
    16. (1997). Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature.
    17. (2005). Pande VS: Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.
    18. (1993). Particle Mesh Ewald: An N-log (N) method for Ewald sums in large systems.
    19. (1996). Pastor RW: On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations.
    20. (2005). Penetratin-membrane association: W48/R52/W56 shield the peptide from the aqueous phase.
    21. (2002). S: The role of electrostatic and nonpolar interactions in the association of peripheral protiens with membranes. Peptide-lipid interactions
    22. (2002). Sansom MSP: Setting up and optimization of membrane protein simulations.
    23. (2003). Tieleman DP: Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field.
    24. (2004). Tieleman DP: Distribution of pentachlorophenol in phospholipid bilayers: a molecular dynamics study.
    25. (2003). Tieleman DP: Interactions of the designed antimicrobial peptide MB21 and truncated dermaseptin S3 with lipid bilayers: molecular-dynamics simulations.
    26. (2003). Tieleman DP: Molecular dynamics simulations of pentapeptides at interfaces: salt bridge and cation-pi interactions. Biochemistry
    27. (1996). VMD: Visual molecular dynamics. J Mol Graph
    28. (1999). Vogel HJ: Diversity of antimicrobial peptides and their mechanisms of action. Biochim Biophys Acta
    29. (1996). White SH: Experimentally determined hydrophobicity scale for proteins at membrane interfaces. Nat Struct Biol
    30. (1999). Wimley WC: Membrane protein folding and stability: Physical principles. Annu Rev Biophys Biomolec Struct
    31. (2004). Zlomislic MR, Oloo EO, Tieleman DP: Computer simulations of membrane proteins. Biochim Biophys Acta

    To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.