Browsing Department of Informatics by Author "Reuter, Nathalie"
Now showing items 1-7 of 7
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Dynamics-function relationship in the catalytic domains of N-terminal acetyltransferases
Abboud, Angèle; Bedoucha, Pierre; Byska, Jan; Arnesen, Thomas; Reuter, Nathalie (Journal article; Peer reviewed, 2020)N-terminal acetyltransferases (NATs) belong to the superfamily of acetyltransferases. They are enzymes catalysing the transfer of an acetyl group from acetyl coenzyme A to the N-terminus of polypeptide chains. N-terminal ... -
Phosphatidylcholine Cation—Tyrosine π Complexes: Motifs for Membrane Binding by a Bacterial Phospholipase C
Roberts, Mary F.; Gershenson, Anne; Reuter, Nathalie (Journal article; Peer reviewed, 2022-09-21)Phosphatidylinositol-specific phospholipase C (PI-PLC) enzymes are a virulence factor in many Gram-positive organisms. The specific activity of the Bacillus thuringiensis PI-PLC is significantly increased by adding ... -
Specificity of Loxosceles α clade phospholipase D enzymes for choline-containing lipids: Role of a conserved aromatic cage
Moutoussamy, Emmanuel Edouard; Waheed, Qaiser; Binford, Greta J.; Khan, Hanif Muhammad; Moran, Shane M.; Eitel, Anna R.; Cordes, Matthew H.J.; Reuter, Nathalie (Journal article; Peer reviewed, 2022)Spider venom GDPD-like phospholipases D (SicTox) have been identified to be one of the major toxins in recluse spider venom. They are divided into two major clades: the α clade and the β clade. Most α clade toxins present ... -
TMM@: a web application for the analysis of transmembrane helix mobility
Skjærven, Lars; Jonassen, Inge; Reuter, Nathalie (Peer reviewed; Journal article, 2007-07-02)Background: To understand the mechanism by which a protein transmits a signal through the cell membrane, an understanding of the flexibility of its transmembrane (TM) region is essential. Normal Mode Analysis (NMA) has ... -
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 ...