Anders Irbäck

Summary

Affiliation: Lund University
Country: Sweden

Publications

  1. ncbi Thermal versus mechanical unfolding of ubiquitin
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    Proteins 65:759-66. 2006
  2. ncbi PROFASI: A Monte Carlo simulation package for protein folding and aggregation
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    J Comput Chem 27:1548-55. 2006
  3. ncbi Dissecting the mechanical unfolding of ubiquitin
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    Proc Natl Acad Sci U S A 102:13427-32. 2005
  4. ncbi Folding thermodynamics of peptides
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Lund, Sweden
    Biophys J 88:1560-9. 2005
  5. ncbi Spontaneous beta-barrel formation: an all-atom Monte Carlo study of Abeta16-22 oligomerization
    Anders Irbäck
    Computational Biology and Biological Physics Group, Department of Theoretical Physics, Lund University, SE 223 62 Lund, Sweden
    Proteins 71:207-14. 2008
  6. ncbi Folding thermodynamics of three beta-sheet peptides: a model study
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, SE 223 62 Lund, Sweden
    Proteins 56:110-6. 2004
  7. ncbi An effective all-atom potential for proteins
    Anders Irbäck
    Computational Biology and Biological Physics, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    PMC Biophys 2:2. 2009
  8. ncbi Thermodynamics of alpha- and beta-structure formation in proteins
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Lund, Sweden
    Biophys J 85:1466-73. 2003
  9. ncbi Monte Carlo study of the formation and conformational properties of dimers of A?42 variants
    Simon Mitternacht
    Computational Biology and Biological Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    J Mol Biol 410:357-67. 2011
  10. ncbi Changing the mechanical unfolding pathway of FnIII10 by tuning the pulling strength
    Simon Mitternacht
    Computational Biology and Biological Physics, Department of Theoretical Physics, Lund University, Lund, Sweden
    Biophys J 96:429-41. 2009

Detail Information

Publications18

  1. ncbi Thermal versus mechanical unfolding of ubiquitin
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    Proteins 65:759-66. 2006
    ..Their combined simulation results thus enable the authors to predict in detail important differences between the thermal and mechanical unfolding behaviors of ubiquitin...
  2. ncbi PROFASI: A Monte Carlo simulation package for protein folding and aggregation
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    J Comput Chem 27:1548-55. 2006
    ..Adding new updates is easy. The code runs fast in both single- and multi-chain applications, as is illustrated by several examples...
  3. ncbi Dissecting the mechanical unfolding of ubiquitin
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    Proc Natl Acad Sci U S A 102:13427-32. 2005
    ..This order is the same in two- and three-state events and at the different forces studied. The observed order remains to be verified experimentally but appears physically reasonable...
  4. ncbi Folding thermodynamics of peptides
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Lund, Sweden
    Biophys J 88:1560-9. 2005
    ..g., Betanova). In other cases (in particular, GB1m2 and GB1m3), the different estimates agree reasonably well, indicating a more two-state-like melting behavior...
  5. ncbi Spontaneous beta-barrel formation: an all-atom Monte Carlo study of Abeta16-22 oligomerization
    Anders Irbäck
    Computational Biology and Biological Physics Group, Department of Theoretical Physics, Lund University, SE 223 62 Lund, Sweden
    Proteins 71:207-14. 2008
    ..In one of several runs, we observe the spontaneous formation of a beta-barrel with six antiparallel strands. The beta-barrel stands out as the by far most long-lived aggregate seen in our simulations...
  6. ncbi Folding thermodynamics of three beta-sheet peptides: a model study
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, SE 223 62 Lund, Sweden
    Proteins 56:110-6. 2004
    ..The magnitude of this dependence matches well with the results obtained in two different experiments on the beta-hairpin...
  7. ncbi An effective all-atom potential for proteins
    Anders Irbäck
    Computational Biology and Biological Physics, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    PMC Biophys 2:2. 2009
    ..PACS Codes: 87.14.E-, 87.15.A-, 87.15.Cc...
  8. ncbi Thermodynamics of alpha- and beta-structure formation in proteins
    Anders Irbäck
    Complex Systems Division, Department of Theoretical Physics, Lund University, Lund, Sweden
    Biophys J 85:1466-73. 2003
    ..We also perform a Monte Carlo-based kinetic study and find, in accord with experimental data, that the alpha-helix forms faster than the beta-hairpin...
  9. ncbi Monte Carlo study of the formation and conformational properties of dimers of A?42 variants
    Simon Mitternacht
    Computational Biology and Biological Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    J Mol Biol 410:357-67. 2011
    ..Our findings hint at reorganization of this part of the molecule as a potentially critical step in A? aggregation...
  10. ncbi Changing the mechanical unfolding pathway of FnIII10 by tuning the pulling strength
    Simon Mitternacht
    Computational Biology and Biological Physics, Department of Theoretical Physics, Lund University, Lund, Sweden
    Biophys J 96:429-41. 2009
    ..Two of these correspond to the native and fully unfolded states, respectively, whereas the third one can be associated with the major unfolding intermediates...
  11. ncbi Folding of a small helical protein using hydrogen bonds and hydrophobicity forces
    Giorgio Favrin
    Department of Theoretical Physics, Complex Systems Division, Lund University, Lund, Sweden
    Proteins 47:99-105. 2002
    ..8 A from the native structure. The sequence-dependent part of our potential is pairwise additive. Our calculations suggest that fine-tuning this potential by parameter optimization is of limited use...
  12. ncbi Oligomerization of amyloid Abeta16-22 peptides using hydrogen bonds and hydrophobicity forces
    Giorgio Favrin
    Complex Systems Division, Department of Theoretical Physics, Lund University, Lund, Sweden
    Biophys J 87:3657-64. 2004
    ..For the six-chain system, the aggregated structures can have many different shapes, but certain particularly stable shapes can be identified...
  13. ncbi Two-state folding over a weak free-energy barrier
    Giorgio Favrin
    Complex Systems Division, Department of Theoretical Physics, Lund University, , SE-223 62 Lund, Sweden
    Biophys J 85:1457-65. 2003
    ..A simple estimate based on diffusion in a square-well potential predicts the relaxation time within a factor of two...
  14. ncbi Comparing the folding free-energy landscapes of Abeta42 variants with different aggregation properties
    Simon Mitternacht
    Computational Biology and Biological Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    Proteins 78:2600-8. 2010
    ..Comparing results for the four Abeta42 variants, we identify specific conformational properties of residues 23-26 that might play a key role in aggregation...
  15. ncbi Sequence-based study of two related proteins with different folding behaviors
    Giorgio Favrin
    Complex Systems Division, Department of Theoretical Physics, Lund University, Lund, Sweden
    Proteins 54:8-12. 2004
    ....
  16. ncbi Mutation-induced fold switching among lattice proteins
    Christian Holzgräfe
    Computational Biology and Biological Physics, Lund University, Sölvegatan 14A, SE 223 62 Lund, Sweden
    J Chem Phys 135:195101. 2011
    ..The thermodynamic stability is correlated with mutational stability and is, on average, markedly reduced at the observed fold switches...
  17. ncbi Differences in solution behavior among four semiconductor-binding peptides
    Simon Mitternacht
    Computational Biology and Biological Physics Group, Department of Theoretical Physics, Lund University, Solvegatan 14A, SE 223 62 Lund, Sweden
    J Phys Chem B 111:4355-60. 2007
    ..By also analyzing designed mutants of two of the peptides, an experimental test of this hypothesis is proposed...
  18. ncbi Accelerating atomic-level protein simulations by flat-histogram techniques
    Sigurour A E Jónsson
    Computational Biology and Biological Physics, Lund University, Sölvegatan 14A, SE 223 62 Lund, Sweden
    J Chem Phys 135:125102. 2011
    ..The frequency of barrier crossing, which is low in conventional canonical simulations, can be increased by turning to a two-step procedure based on the Wang-Landau and multicanonical algorithms...