Essays about: "molekylär dynamik"

Showing result 1 - 5 of 6 essays containing the words molekylär dynamik.

  1. 1. Computational study of the photophysical properties of two related photosensitizer proteins

    University essay from KTH/Kemi

    Author : Benjamin Fégeant; [2023]
    Keywords : Photosensitizer proteins; QM MM; photophysics; molecular dynamics; computational protocol for protein preparation; Fotosensibiliserande proteiner; QM MM; fotofysik; molekylär dynamik; beräkningsprotokoll för förberedelser av proteiner;

    Abstract : Den ökande koldioxidhalten i atmosfären har lett till ett ökat intresse för användning av solljus, ett exempel är inom kemi. Att använda ljus i kemi kan leda till nya och intressanta kemiska reaktioner och kan tillämpas i användningsområden som exempelvis fotokatalys och fotovoltaik. READ MORE

  3. 2. Application of ring statistics to characterise graphitisation of carbon fiber heat shields under atmospheric re-entry conditions

    University essay from KTH/Lättkonstruktioner, marina system, flyg- och rymdteknik, rörelsemekanik

    Author : Hamish Keay; [2023]
    Keywords : Aerospace; Heat shields; Re-entry; Graphitisation; Carbon fiber; Carbon phenolic; Ring statistics; Graph theory; Molecular Dynamics; återinträde; grafitisering; kolfiber; kolfenol; ringstatistik; grafteori; molekylär dynamik;

    Abstract : Carbon fibers submitted to high temperatures (>2000 °C) experience a permanent increasein their thermal conductivity. This change has been attributed to a change in the molecularstructure due to graphitisation. READ MORE

  4. 3. Aromatic Ring Flips and Local Volume Fluctuations in BPTI

    University essay from Lunds universitet/Biofysikalisk kemi

    Author : Simon Enbom; [2022]
    Keywords : Biophysical Chemistry; Molecular Dynamics; Protein Dynamics; Activation Volume; Aromatic Ring Flips; BPTI; Biology and Life Sciences; Chemistry; Technology and Engineering;

    Abstract : Aromatic ring flips are a classic example of a dynamic process in proteins. Discovered decades ago, methodological limitations hindered progress at the time. Ring flips have gained new interest and experimentalists can measure the flip rate and thermodynamic quantities associated with it. READ MORE

  5. 4. Formation of Monolayered Phospholipids using Molecular Dynamics

    University essay from Uppsala universitet/Molekyl- och kondenserade materiens fysik

    Author : Rebecka Lexelius; [2018]
    Keywords : phospholipids; lipids; DPPC; monolayer; molecular dynamics; MD; molecular dynamics simulation; GROMACS; biological membrane; lipid concentration; biophysics;

    Abstract : The very fundamental properties of biological membranes can be understood by studying their formation. This sets a good foundation for research related to how the membranes interact with organic molecules and ions; something of great value in the quest of explaining transport phenomena through cell membranes. READ MORE

  6. 5. Modeling of Conformational Transitions in Membrane Proteins with Coarse-Grained Methods

    University essay from KTH/Teoretisk fysik

    Author : Cathrine Bergh; [2015]
    Keywords : ;

    Abstract : Understanding the dynamics of proteins is crucial in order to understand life on a molecular level. In this Bachelor’s thesis large scale motions of the membrane protein SERCA has been investigated with coarse-grained methods. READ MORE