Sökning: "molecular orientation"

Visar resultat 6 - 10 av 168 avhandlingar innehållade orden molecular orientation.

  1. 6. Understanding molecular mechanisms of protein tyrosine kinases by molecular dynamics and free energy calculations

    Författare :Yaozong Li; Kwangho Nam; Magnus Wolf-Watz; Amedeo Caflisch; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; kinase; IRK; IGF-1RK; phosphorylation; activation loop; molecular dynamics; phosphoryl transfer; alchemical free energy; dynamical network; correlation map; PCA; motion projection; Gaussian softcore; free energy landscape; kinase catalysis;

    Sammanfattning : Background: Insulin receptor kinase (IRK) and Insulin-like growth factor 1 receptor kinase (IGF-1RK) are two important members in the large class of tyrosine kinase receptors. They play pivotalroles in the regulation of glucose homeostasis, cell proliferation, differentiation, motility, andtransformation. LÄS MER

  3. 7. Theoretical and Biochemical : Advancing Protein Structure Investigations with Complementing Computations

    Författare :Maxim N. Brodmerkel; Erik G. Marklund; Carl Caleman; Charlotte Uetrecht; Helmut Grubmüller; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics simulation; Protein structure; Structural biology; Protein hydration; Electric dipole; Collision Induced Unfolding;

    Sammanfattning : Life as we know it today would not exist without proteins. The functions of proteins for us and other organisms are linked to their three-dimensional structures. As such, protein structure investigations are a crucial contribution for understanding proteins and the molecular basis of life. LÄS MER

  4. 8. Nanospintronics with Molecular Magnets - Tunneling and Spin-Electric Coupling

    Författare :Javier Francisco Nossa Márquez; Fasta tillståndets fysik; []
    Nyckelord :Molecular magnets; spin exchange; spin-orbit interaction; magnetic anisotropy; spin frustration; spin chirality; spin-electric control; quantum transport; Coulomb blockade; density functional theory; quantum master equation.;

    Sammanfattning : This dissertation investigates theoretically electric control of the magnetic properties of molecular magnets. Two classes of magnetic molecules are considered. The first class consists of molecules that are spin frustrated. LÄS MER

  5. 9. Beyond Köhler theory : Molecular dynamics simulations as a tool for atmospheric science

    Författare :Thomas Hede; Caroline Leck; Veli-Matti Kerminen; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Köhler theory; molecular dynamics; surface tension; aggregate; climate; atmosfärvetenskap och oceanografi; Atmospheric Sciences and Oceanography;

    Sammanfattning : In this thesis, the results from molecular dynamics (MD) simulations of nanoaerosol clusters are discussed. The connecting link of these studies is the Köhler theory, which is the theory of condensational growth and activation of cloud droplets to form clouds. LÄS MER

  7. 10. Molecular-dynamics simulations of polymeric surfaces for biomolecular applications

    Författare :Stela Andrea Muntean; M.A.J. Michels; M.W.J. Prins; A.V. Lyulin; Technische Universiteit Eindhoven; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Polystyrenes; Molecular Dynamics; Computer Simulation; Water; Molecules; Atoms; Hydrophilicity; Biosensors; Myoglobin; Physics; Fysik;

    Sammanfattning : In-vitro diagnostics plays a very important role in the present healthcare system. It consists of a large variety of medical devices designed to diagnose a medical condition by measuring a target molecule in a sample, such as blood or urine. LÄS MER