Search Results - "Winger, Moritz"

Definition and testing of the GROMOS force-field versions 54A7 and 54B7 by Schmid, Nathan, Eichenberger, Andreas P., Choutko, Alexandra, Riniker, Sereina, Winger, Moritz, Mark, Alan E., van Gunsteren, Wilfred F.

“…New parameter sets of the GROMOS biomolecular force field, 54A7 and 54B7, are introduced. These parameter sets summarise some previously published force field…”
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Exposing the Flexibility of Human Parainfluenza Virus Hemagglutinin-neuraminidase by Winger, Moritz, von Itzstein, Mark

“…Human parainfluenza virus type 3 (hPIV-3) is a clinically significant pathogen and is the causative agent of pneumonia and bronchiolitis in children. In this…”
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Functional and structural characterization of a heparanase by Bohlmann, Lisa, Tredwell, Gregory D, Yu, Xing, Chang, Chih-Wei, Haselhorst, Thomas, Winger, Moritz, Dyason, Jeffrey C, Thomson, Robin J, Tiralongo, Joe, Beacham, Ifor R, Blanchard, Helen, von Itzstein, Mark

“…Structure and functional characterization of BpHep, a heparanase from the invasive pathogenic bacterium Burkholderia pseudomallei , defines its…”
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Testing of the GROMOS Force-Field Parameter Set 54A8: Structural Properties of Electrolyte Solutions, Lipid Bilayers, and Proteins by Reif, Maria M, Winger, Moritz, Oostenbrink, Chris

“…The GROMOS 54A8 force field [Reif et al. J. Chem. Theory Comput. 2012, 8, 3705–3723] is the first of its kind to contain nonbonded parameters for charged amino…”
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Structure-guided discovery of potent and dual-acting human parainfluenza virus haemagglutinin–neuraminidase inhibitors by Guillon, Patrice, Dirr, Larissa, El-Deeb, Ibrahim M., Winger, Moritz, Bailly, Benjamin, Haselhorst, Thomas, Dyason, Jeffrey C., von Itzstein, Mark

“…Human parainfluenza viruses (hPIVs) cause upper and lower respiratory tract disease in children that results in a significant number of hospitalizations and…”
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Exploring Human Parainfluenza Virus Type‑1 Hemagglutinin–Neuraminidase as a Target for Inhibitor Discovery by El-Deeb, Ibrahim M, Guillon, Patrice, Winger, Moritz, Eveno, Tanguy, Haselhorst, Thomas, Dyason, Jeffrey C, von Itzstein, Mark

“…Human parainfluenza virus type 1 is the major cause of croup in infants and young children. There is currently neither vaccine nor clinically effective…”
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Investigation into the Feasibility of Thioditaloside as a Novel Scaffold for Galectin-3-Specific Inhibitors by Bum-Erdene, Khuchtumur, Gagarinov, Ivan A., Collins, Patrick M., Winger, Moritz, Pearson, Andrew G., Wilson, Jennifer C., Leffler, Hakon, Nilsson, Ulf J., Grice, I. Darren, Blanchard, Helen

“…Galectin‐3 is extensively involved in metabolic and disease processes, such as cancer metastasis, thus giving impetus for the design of specific inhibitors…”
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Force-field dependence of the conformational properties of α,ω-dimethoxypolyethylene glycol by Winger, Moritz, de Vries, Alex H., van Gunsteren, Wilfred F.

“…A molecular dynamics (MD) study of α,ω-dimethoxypolyethylene glycol has been carried out under various conditions with respect to solvent composition, ionic…”
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Use of Molecular-Dynamics Simulation for Optimizing Protein Stability: Consensus-Designed Ankyrin Repeat Proteins by Winger, Moritz, van Gunsteren, Wilfred F.

“…In earlier work, two highly homologous (87% sequence identity) ankyrin repeat (AR) proteins, E3_5 and E3_19, were studied using molecular‐dynamics (MD)…”
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