2018

2018

Articles

  • 1 – 2018 ; Madeleine, N. ; Gardebien, F.
    Identification of Inhibitors for the Lutheran Blood Group Glycoprotein – Laminin 511/521 Interaction by Molecular Modelling and Simulation Techniques
    CURR COMPUT AIDED DRUG DES ; 14 ; (3) 253–268 ; [google scholar] 
  • 2 – 2018 ; Postic, G. ; Gracy, J. ; Perin, C. ; Chiche, L. ; Gelly, J. C.
    KNOTTIN: the database of inhibitor cystine knot scaffold after 10 years, toward a systematic structure modeling
    NUCLEIC ACIDS RES. ; 46 ; (D1) D454-D458 ; [google scholar] 
  • 3 – 2018 ; Kozelka, J. ; Durec, M. ; Marek, R.
    Water-tryptophan interactions: lone-pair—pi or O-H—pi? Molecular dynamics simulations of beta-galactosidase suggest that both modes can co-exist
    CHEMISTRY ; [google scholar] 
  • 4 – 2018 ; de Brevern, A. G.
    Analysing the Structural Effect of Point Mutations of Cytotoxic Necrotizing Factor 1 (CNF1) on Lu/BCAM Adhesion Glycoprotein Association
    TOXINS (BASEL) ; 10 ; (3) [google scholar] 
  • 5 – 2018 ; Vishwanath, S. ; de Brevern, A. G. ; Srinivasan, N.
    Same but not alike: Structure, flexibility and energetics of domains in multi-domain proteins are influenced by the presence of other domains
    PLOS COMPUT. BIOL. ; 14 ; (2) e1006008 ; [google scholar] 
  • 6 – 2018 ; Narwani, Tarun; Craveur, Pierrick; Shinada, Nicolas; Santuz, Hubert; Rebehmed, Joseph; Etchebest, Catherine; de Brevern, Alexandre
    Dynamics and deformability of α-, 310- and π-helices
    ARCHIVES OF BIOLOGICAL SCIENCES ; 70 ; 22-31 ; [google scholar] 
  • 7 – 2018 ; de Brevern, A. G. ; Floch, A. ; Barrault, A. ; Martret, J. ; Bodivit, G. ; Djoudi, R. ; Pirenne, F. ; Tournamille, C.
    Alloimmunization risk associated with amino acid 223 substitution in the RhD protein: analysis in the light of molecular modeling
    TRANSFUSION ; 58 ; (11) 2683–2692 ; [google scholar] 
  • 8 – 2018 ; Dumontet, C. ; Beck, G. ; Gardebien, F. ; Haudecoeur, R. ; Mathe, D. ; Matera, E. L. ; Tourette, A. ; Mattei, E. ; Esmenjaud, J. ; Boyere, C. ; Nurisso, A. ; Peuchmaur, M. ; Peres, B. ; Bouchaud, G. ; Magnan, A.
    Piperidinyl-embeded chalcones possessing anti PI3Kδ inhibitory properties exhibit anti-atopic properties in preclinical models
    EUR J MED CHEM ; 158 ; 405–413 ; [google scholar] 




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