2014

2014

Articles

  • 1 – 2014 ; Mahajan, S. ; de Brevern, A. G. ; Offmann, B. ; Srinivasan, N.
    Correlation between local structural dynamics of proteins inferred from NMR ensembles and evolutionary dynamics of homologues of known structure
    J. BIOMOL. STRUCT. DYN. ; [google scholar] 
  • 2 – 2014 ; Leonard, S. ; Joseph, A. P. ; Srinivasan, N. ; Gelly, J. C. ; de Brevern, A. G.
    mulPBA: an efficient multiple protein structure alignment method based on a structural alphabet
    J. BIOMOL. STRUCT. DYN. ; [google scholar] 
  • 3 – 2014 ; Schneider, B. ; Cerny, J. ; Svozil, D. ; Cech, P. ; Gelly, J. C. ; de Brevern, A. G.
    Bioinformatic analysis of the protein/DNA interface
    NUCLEIC ACIDS RES. ; 42 ; (5) 3381-94 ; [pmid:24335080] [google scholar] 
  • 4 – 2014 ; Manoharan, M. ; Fuchs, P. F. ; Sowdhamini, R. ; Offmann, B.
    Insights on pH-dependent conformational changes of mosquito odorant binding proteins by molecular dynamics simulations
    J. BIOMOL. STRUCT. DYN. ; [google scholar] 
  • 5 – 2014 ; Charlier L; ; Fuchs, P. F. ; and Floquet N.
    Coarse-Grained Simulations of the HIV-1 Matrix Protein Anchoring: Revisiting Its Assembly on Membrane Domains
    BIOPHYS J ; in press ; [google scholar] 
  • 6 – 2014 ; Schneider, B. ; Gelly, J. C. ; de Brevern, A. G. ; ?erny, J.
    Local dynamics of proteins and DNA evaluated from crystallographic B factors
    ACTA CRYSTALLOGR. D BIOL. CRYSTALLOGR. ; 70 ; (Pt 9) 2413-2419 ; [doi:25195754] [google scholar] 
  • 7 – 2014 ; Joseph, A.P.; de Brevern, A.G.
    From local structure to a global framework: Recognition of protein folds
    INTERFACE ; in press ; [google scholar] 
  • 8 – 2014 ; Craveur, P.; Rebehmed, R.; de Brevern, A.G.
    PTM-SD: a database of structurally resolved and annotated post-translational modifications in proteins
    DATABASE ; in press ; [google scholar] 
  • 9 – 2014 ; Jallu, V.; Poulain, P; Fuchs, P.F.; Kaplan, C.; de Brevern, A.G.
    Modeling and molecular dynamics simulations of the V33 variant of the integrin subunit β3: structural comparison with the L33 (HPA-1a) and P33 (HPA-1b) variants
    BIOCHIMIE ; in press ; [google scholar] 
  • 10 – 2014 ; Chebrek, R. ; Leonard, S. ; de Brevern, A. G. ; Gelly, J. C.
    PolyprOnline: polyproline helix II and secondary structure assignment database
    DATABASE (OXFORD) ; 2014 ; [pmid:25380779] [google scholar] 
  • 11 – 2014 ; Kaushik, S. ; Etchebest, C. ; Sowdhamini, R.
    Decoding the structural events in substrate-gating mechanism of eukaryotic prolyl oligopeptidase using normal mode analysis and molecular dynamics simulations
    PROTEINS ; 82 ; (7) 1428–1443 ; [google scholar] 
  • 12 – 2014 ; Barnoud, J. ; Rossi, G. ; Marrink, S. J. ; Monticelli, L.
    Hydrophobic compounds reshape membrane domains
    PLOS COMPUT. BIOL. ; 10 ; (10) e1003873 ; [google scholar] 
  • 13 – 2014 ; Pan, J. ; Cheng, X. ; Monticelli, L. ; Heberle, F. A. ; Ku?erka, N. ; Tieleman, D. P. ; Katsaras, J.
    The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations
    SOFT MATTER ; 10 ; (21) 3716–3725 ; [google scholar] 
  • 14 – 2014 ; Miettinen, M. S. ; Monticelli, L. ; Nedumpully-Govindan, P. ; Knecht, V. ; Ignatova, Z.
    Stable polyglutamine dimers can contain β-Hairpins with interdigitated side chains-but not α-helices, β-nanotubes, β-pseudohelices, or steric zippers
    BIOPHYS. J. ; 106 ; (8) 1721–1728 ; [google scholar] 
  • 15 – 2014 ; Barnoud, J. ; Rossi, G. ; Monticelli, L.
    Lipid membranes as solvents for carbon nanoparticles
    PHYS. REV. LETT. ; 112 ; (6) 068102 ; [google scholar] 
  • 16 – 2014 ; Haria, N. R. ; Monticelli, L. ; Fraternali, F. ; Lorenz, C. D.
    Plasticity and conformational equilibria of influenza fusion peptides in model lipid bilayers
    BIOCHIM. BIOPHYS. ACTA ; 1838 ; (4) 1169–1179 ; [google scholar] 
  • 17 – 2014 ; Olivieri, L. ; Gardebien, F.
    Structure-affinity properties of a high-affinity ligand of FKBP12 studied by molecular simulations of a binding intermediate
    PLOS ONE ; 9 ; (12) e114610 ; [pmid:25502559] [doi:10.1371/journal.pone.0114610] [google scholar] 
  • 18 – 2014 ; Olivieri, L. ; Gardebien, F.
    Classical force field parameters for two high-affinity ligands of FKBP12
    J. MOL. GRAPH. MODEL. ; 49 ; 118-128 ; [pmid:24657432] [doi:10.1016/j.jmgm.2014.02.003] [google scholar] 




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