• Two homologous neutrophil serine proteases bind to POPC vesicles with different affinities: When aromatic amino acids matter 

      Schillinger, Anne-Sophie; Grauffel, Cédric; Khan, Hanif Muhammad; Halskau, Øyvind; Reuter, Nathalie (Peer reviewed; Journal article, 2014-12)
      Neutrophil serine proteases Proteinase 3 (PR3) and human neutrophil elastase (HNE) are homologous antibiotic serine proteases of the polymorphonuclear neutrophils. Despite sharing a 56% sequence identity they have been ...
    • Visual Cavity Analysis in Molecular Simulations 

      Parulek, Julius; Turkay, Cagatay; Reuter, Nathalie; Viola, Ivan (Peer reviewed; Journal article, 2013-11-12)
      Molecular surfaces provide a useful mean for analyzing interactions between biomolecules; such as identification and characterization of ligand binding sites to a host macromolecule. We present a novel technique, which ...
    • Visual exploration of large normal mode spaces to study protein flexibility 

      Bedoucha, Pierre; Reuter, Nathalie; Hauser, Helwig; Byska, Jan (Journal article; Peer reviewed, 2020-05-22)
      When studying the function of proteins, biochemists utilize normal mode decomposition to enable the analysis of structural changes on time scales that are too long for molecular dynamics simulation. Such a decomposition ...
    • WEBnm@ v2.0: Web server and services for comparing protein flexibility 

      Tiwari, Sandhya Premnath; Fuglebakk, Edvin; Hollup, Siv Midtun; Skjærven, Lars; Cragnolini, Tristan; Grindhaug, Svenn Helge; Tekle, Kidane M; Reuter, Nathalie (Peer reviewed; Journal article, 2014-12-30)
      Background: Normal mode analysis (NMA) using elastic network models is a reliable and cost-effective computational method to characterise protein flexibility and by extension, their dynamics. Further insight into the ...
    • WEBnm@: a web application for normal mode analyses of proteins 

      Hollup, Siv Midtun; Sælensminde, Gisle; Reuter, Nathalie (Peer reviewed; Journal article, 2005-12-30)
      Background: Normal mode analysis (NMA) has become the method of choice to investigate the slowest motions in macromolecular systems. NMA is especially useful for large biomolecular assemblies, such as transmembrane channels ...