Title :
Probing Mechanisms of Bacterial Infection through Molecular Dynamics Simulations
Author :
DeSalvo, S.C. ; Liu, Yanbing ; Nangia, S. ; Sureshkumar, R.
Author_Institution :
Dept. of Biomed. & Chem. Eng., Syracuse Univ., Syracuse, NY, USA
Abstract :
Biofilms are colonies of bacteria that thrive and proliferate in the living host causing infection. Inside the living tissue, the bacterial biofilms interact with the host cells through chemicals known as signaling factors. The signaling factors are relatively small polypeptides that have profound effects on the cellular activities of the host. The less understood, complex signaling process determines the survival of either the biofilm or the host cells. This proceeding details the process and preliminary results of the computational study of the translocation of tumor necrosis factor-alpha and granulocyte macrophage colony stimulating factor signaling factors across a model cell membrane.
Keywords :
biomembranes; cell motility; diseases; medical computing; microorganisms; molecular biophysics; molecular dynamics method; tumours; bacteria colonies; bacterial biofilm interaction; bacterial infection; biochemicals; cell membrane model; complex signaling process; computational study; granulocyte macrophage colony stimulating factor; host cellular activity; living host; living tissue; molecular dynamics simulation; small polypeptide; tumor necrosis factor-alpha translocation; Biological system modeling; Cells (biology); Couplings; Lipidomics; Microorganisms; Proteins; Thermostats; Biofilm; Coarse-Graining; Lipid Bilayer; Molecular Dynamics; Potential of Mean Force; Signaling Factor; Tumor Necrosis Factor - Alpha; granulocyte macrophage colony stimulating factor;
Conference_Titel :
Bioengineering Conference (NEBEC), 2013 39th Annual Northeast
Conference_Location :
Syracuse, NY
Print_ISBN :
978-1-4673-4928-4
DOI :
10.1109/NEBEC.2013.129