2012

2012

Articles

  • 1 – 2012 ; Joseph, A. P. ; Srinivasan, N. ; de Brevern, A. G.
    Cis-trans peptide variations in structurally similar proteins
    AMINO ACIDS ; 43 ; (3) 1369–1381 ; [google scholar] 
  • 2 – 2012 ; Swapna, L. S. ; Mahajan, S. ; de Brevern, A. ; Srinivasan, N.
    Comparison of tertiary structures of proteins in protein-protein complexes with unbound forms suggests prevalence of allostery in signalling proteins
    BMC STRUCT BIOL ; 12 ; (1) 6 ; [google scholar] 
  • 3 – 2012 ; Jallu, V. ; Bertrand, G. ; Bianchi, F. ; Chenet, C. ; Poulain, P. ; Kaplan, C.
    The αIIb p.Leu841Met (Cab3(a+) ) polymorphism results in a new human platelet alloantigen involved in neonatal alloimmune thrombocytopenia
    TRANSFUSION ; [google scholar] 
  • 4 – 2012 ; Fuchs, P. F. J.; Hansen, H. S.; Hünenberger, P. H.; Horta, B. A. C.
    A GROMOS parameter set for vicinal diether functions: properties of polyethyleneoxide and polyethyleneglycol
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION ; in press ; [doi:10.1021/ct300245h] [google scholar] 
  • 5 – 2012 ; Gueroult, M. ; Boittin, O. ; Mauffret, O. ; Etchebest, C. ; Hartmann, B.
    Mg(2+) in the Major Groove Modulates B-DNA Structure and Dynamics
    PLOS ONE ; 7 ; (7) e41704 ; [google scholar] 
  • 6 – 2012 ; Cramariuc, O.; Rog, T.; Javanainen, M.; Monticelli, L.; Polishchuk, A.V.; Vattulainen, I.
    Mechanism for translocation of fluoroquinolones across lipid membranes
    BBA BIOMEMBRANES ; in press ; [google scholar] 
  • 7 – 2012 ; Javanainen, M.; Hammaren, H.; Monticelli, L.; Jeon, J.H.; Miettinen, M.S.; Martinez-Seara, H.; Metzler, R.; Vattulainen, I.
    Anomalous and normal diffusion of proteins and lipids in crowded lipid membranes
    FARADAY DISCUSSIONS ; in press ; [google scholar] 
  • 8 – 2012 ; Miettinen, M.S.; Knecht, V.; Monticelli, L.; Ignatova, Z.
    Assessing Polyglutamine Conformation in the Nucleating Event by Molecular Dynamics Simulations
    JOURNAL OF PHYSICAL CHEMISTRY B ; in press ; [google scholar] 
  • 9 – 2012 ; Monticelli, L.
    On atomistic and coarse-grained models of C60 fullerene
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION ; 8 ; 1370-1378 ; [doi:10.1021/ct3000102] [google scholar] 
  • 10 – 2012 ; Monticelli, L.; Barnoud, J.; Orlowski, A.; Vattulainen, I.
    Interaction of C70 fullerene with the Kv1.2 potassium channel
    PCCP ; 14 ; 12526-12533 ; [google scholar] 
  • 11 – 2012 ; Nedumpully Govindan, P.; Monticelli, L.; Salonen, E.
    Mechanism of Taq DNA Polymerase Inhibition by Fullerene Derivatives: Insight from Computer Simulations
    JOURNAL OF PHYSICAL CHEMISTRY B ; in press ; [google scholar] 
  • 12 – 2012 ; Dhamgaye, S. ; Bernard, M. ; Lelandais, G. ; Sismeiro, O. ; Lemoine, S. ; Coppee, J. Y. ; Le Crom, S. ; Prasad, R. ; Devaux, F.
    RNA sequencing revealed novel actors of the acquisition of drug resistance in Candida albicans
    BMC GENOMICS ; 13 ; (1) 396 ; [google scholar] 
  • 13 – 2012 ; Jallu, V.; Poulain, P.; Fuchs, P; Kaplan, C.; de Brevern, AG
    Modeling and Molecular Dynamics of HPA-1a and -1b Polymorphisms: Effects on the Structure of the beta3 Subunit of the alpha2b/beta3 Integrin
    PLOS ONE ; in press ; [google scholar] 
  • 14 – 2012 ; Joseph, A. P. ; Srinivasan, N. ; de Brevern, A. G.
    Progressive structure-based alignment of homologous proteins: Adopting sequence comparison strategies
    BIOCHIMIE ; 94 ; (9) 2025–2034 ; [google scholar] 
  • 15 – 2012 ; de Brevern, A. G. ; Bornot, A. ; Craveur, P. ; Etchebest, C. ; Gelly, J. C.
    PredyFlexy: flexibility and local structure prediction from sequence
    NUCLEIC ACIDS RES. ; 40 ; (Web Server issue) W317–322 ; [google scholar] 
  • 16 – 2012 ; Joseph, A. P. ; Valadie, H. ; Srinivasan, N. ; de Brevern, A. G.
    Local structural differences in homologous proteins: specificities in different SCOP classes
    PLOS ONE ; 7 ; (6) e38805 ; [google scholar] 
  • 17 – 2012 ; Gelly, J. C. ; Lin, H. Y. ; de Brevern, A. G. ; Chuang, T. J. ; Chen, F. C.
    Selective constraint on human pre-mRNA splicing by protein structural properties
    GENOME BIOL EVOL ; 4 ; (9) 966–975 ; [google scholar] 
  • 18 – 2012 ; Rossi, G. ; Fuchs, P. F. ; Barnoud, J. ; Monticelli, L.
    A coarse-grained MARTINI model of polyethylene glycol and of polyoxyethylene alkyl ether surfactants
    J PHYS CHEM B ; 116 ; (49) 14353–14362 ; [google scholar] 
  • 19 – 2012 ; Monticelli, L. ; Barnoud, J. ; Orlowski, A. ; Vattulainen, I.
    Interaction of C70 fullerene with the Kv1.2 potassium channel
    PHYS CHEM CHEM PHYS ; 14 ; (36) 12526–12533 ; [google scholar] 
  • 20 – 2012 ; Nedumpully Govindan, P. ; Monticelli, L. ; Salonen, E.
    Mechanism of taq DNA polymerase inhibition by fullerene derivatives: insight from computer simulations
    J PHYS CHEM B ; 116 ; (35) 10676–10683 ; [google scholar] 
  • 21 – 2012 ; Miettinen, M. S. ; Knecht, V. ; Monticelli, L. ; Ignatova, Z.
    Assessing polyglutamine conformation in the nucleating event by molecular dynamics simulations
    J PHYS CHEM B ; 116 ; (34) 10259–10265 ; [google scholar] 


  • Incollections

  • 1 – 2012 ; Monticelli, L.; Tieleman, D.P.
    Force fields for classical molecular dynamics
    Biomolecular Simulations: Methods and Protocols ; Humana Press ; in press ; [google scholar] 


  • Print Friendly, PDF & Email