Scenarios for protein aggregation: Molecular Dynamics simulations and Bioinformatic Analysis
نویسندگان
چکیده
X iv :q -b io /0 60 80 41 v1 [ qbi o. B M ] 2 9 A ug 2 00 6 Scenarios for protein aggregation: Molecular Dynamics simulations and Bioinformatic Analysis Ruxandra I. Dima, Bogdan Tarus, John E. Straub and D. Thirumalai 1 Department of Chemistry, University of Cincinnati, Cincinnati, OH 45221 2 Department of Chemistry, Boston University, Boston, MA 02215, Biophysics Program, Institute for Physical Science and Technology Department of Chemistry and Biochemistry University of Maryland, College Park, MD 20742 (Dated: December 14, 2013) Abstract
منابع مشابه
Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations
Potassium Channels allow potassium flux and are essential for the generation of electric current acrossexcitable membranes. Potassium Channels are also the targets of various intracellular controlmechanisms; such that the suboptimal regulation of channel function might be related to pathologicalconditions. Realistic studies of ion current in biologic channels present a major challenge for compu...
متن کاملGyration Radius and Energy Study at Different Temperatures for Acetylcholine Receptor Protein in Gas Phase by Monte Carlo, Molecular and Langevin Dynamics Simulations
The determination of gyration radius is a strong research for configuration of a Macromolecule. Italso reflects molecular compactness shape. In this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. We studiedthe changes of these factors as a function of temperature for Acetylcholine receptor protein in gasphase with n...
متن کاملMolecular Dynamics and Molecular Docking Studies on the Interaction between Four Tetrahydroxy Derivatives of Polyphenyls and Beta Amyloid
Interactions of 3,3',4,4'-tetrahydroxybiphenyl (BPT) and three isomeric 3,3",4,4"-tetrahydroxyterphenyls (OTT, MTT, PTT) with Alzheimer’s amyloid-β peptide (Aβ) were studied by molecular dynamics simulation and molecular docking. Structural parameters such as Root-mean-square derivations (RMSD), radial distribution function (RDF), helix percentage and other physical parameters were obtained. Th...
متن کاملEvaluation of the anti-Salmonella Aptamer using Bioinformatic Tools and ELAA Method
Background: Identifying and measuring food pathogens and environmental samples require accurate and high-sensitivity and specific methods. In addition, Salmonella is a zoonotic bacteria that can directly cause human disease. The aim of this work is to develop anti-Salmonella aptamer using bioinformatic tools and enzyme-linked aptamer assay (ELAA) for assessment of affinity and identifying Salmo...
متن کاملDesigning a new tetrapeptide to inhibit the BIR3 domain of the XIAP protein via molecular dynamics simulations
The XIAP protein is a member of apoptosis proteins family. The XIAP protein plays a central role in the inhibition of apoptosis and consists of three Baculoviral IAP Repeat domains. The BIR3 domain binds directly to the N-terminal of caspase-9 and therefore it inhibits apoptosis. N-terminal tetrapeptide region of SMAC protein can bind to BIR3, inhibit it and subsequently induce apoptosis. In th...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2006