Sökning: "coarse-grained model"

Visar resultat 21 - 25 av 48 avhandlingar innehållade orden coarse-grained model.

  1. 21. Thermodynamics of Protein Folding and Design

    Författare :Erik Sandelin; Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; protein folding; hydrophobicity; Monte Carlo; sequence analysis; sequence assembly; shotgun sequencing; Mathematical and general theoretical physics; classical mechanics; quantum mechanics; relativity; gravitation; statistical physics; Matematisk och allmän teoretisk fysik; thermodynamics; termodynamik; Fysicumarkivet A:2000:Sandelin; statistisk fysik; relativitet; protein design; klassisk mekanik; kvantmekanik;

    Sammanfattning : The protein folding and protein design problems are addressed, using coarse-grained models with only two types of amino acids, hydrophobic and hydrophilic. In addition to hydrophobicity forces, the models contain sequence-independent local interactions which are found to strongly influence the thermodynamics of these models. LÄS MER

  3. 22. Small and Large, Charged Molecules in Solution and at Interfaces

    Författare :Giulio Tesei; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; molecular modeling; MD simulations; statistical mechanics; SAXS; QCM-D; Hofmeister series; amyloid fibril; lipid bilayer; cell-penetrating peptide; molekylär modellering; MD simuleringar; MC simuleringar; statistisk mekanik; SAXS; QCM-D; amyloidfibriller; cellmembran; cellpenetrerande peptider;

    Sammanfattning : The influence of small and large, charged molecules on the properties of aqueous interfaces has important implications in chemistry, biology, and medicine. For example, at the surface of marine aerosols, the presence of halide anions and tropospheric gases gives way to multiphase chemical reactions affecting climate and air quality. LÄS MER

  4. 23. Hydrophobicity Patterns in Protein Folding

    Författare :Frank Potthast; Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; global optimization; multisequence; Fourier analysis; hydrophobicity; protein folding; simulated tempering; statistical physics; thermodynamics; Matematisk och allmän teoretisk fysik; kvantmekanik; klassisk mekanik; gravitation; relativitet; termodynamik; statistisk fysik; alpha-helix; protein design.; Mathematical and general theoretical physics; quantum mechanics; classical mechanics; relativity; Fysicumarkivet A:1998:Potthast;

    Sammanfattning : The protein folding problem is addressed focussing on the hydro- phobicity patterns in the amino acid sequences and structures. Both real and model proteins are investigated. The hydrophobicity pattern of real proteins is probed in two ways. First, it is asked which binary pattern is most conserved within groups of related proteins. LÄS MER

  5. 24. Reconfigurable Architectures for Embedded Systems

    Författare :Henrik Svensson; Institutionen för elektro- och informationsteknik; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Reconfigurable Architectures; Run-time Reconfiguration; Reconfigurable Computing; Embedded Systems; System Level Modeling; Design Exploration;

    Sammanfattning : Application-specific circuits are used to migrate computer systems from workstations to handheld devices that need real-time performance within the budget for physical size and energy dissipation. However, these circuits are inflexible as any modification requires redesign and refabrication, which is both expensive and time-consuming considering the complexity of recent embedded platforms. LÄS MER

  7. 25. Molecular Modeling of Cardiolipin

    Författare :Martin Dahlberg; Arnold Maliniak; Richard W. Pastor; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; Fysikalisk kemi; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : Biological membranes are assembled from many different lipids. Our understanding of membrane function and morphology is dependent on linking the properties of the lipids to the properties of the membranes. LÄS MER