Sökning: "free energy landscape"

Visar resultat 1 - 5 av 22 avhandlingar innehållade orden free energy landscape.

1. 1. 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. 2. Zinc in folding and misfolding of SOD1 : Implications for ALS

   Författare :Lina Leinartaité; Mikael Oliveberg; Bengt-Harald Jonsson; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; protein stability; protein misfolding; local unfolding; metal binding; energy landscape; protein disease; amyotrophic lateral sclerosis; Biochemistry; biokemi;

   Sammanfattning : Amyotrophic lateral sclerosis (ALS) is a neurodegenerative disease causing degeneration of upper and lower motor neurons. Most ALS cases are sporadic; only 6% are associated with mutations in Cu, Zn superoxide dismutase (SOD1). LÄS MER

4. 3. Enthusiasm, Contemplation, and Romantic Longing : Reconsidering Schubert's Sectional Songs in the Light of Historical Context

   Författare :Tobias Lund; Musikvetenskap; []
   Nyckelord :HUMANIORA; HUMANITIES; Johann Georg Sulzer; Johann Wötzel; Friedrich Schiller; Romanticism; Neo-Platonism; depth; free fantasia; English landscape garden; declamation; friendship; friends; interpretation; ballad; Lied; Franz Schubert; sectional song; Ossian; Johann Mayrhofer; Die Bürgschaft; Die Nacht; Liedesend.;

   Sammanfattning : In twentieth-century music scholarship, those of Franz Schubert’s songs from the 1810s that form sectional musical structures have normally been presented as being unfortunately dependent on aesthetically disparaged eighteenth-century models. Authors have often treated these songs succinctly, preferring instead to invest their energy in the “masterworks” of Schubert’s later years. LÄS MER

5. 4. From Static Structures to Free Energy Landscapes: Characterizing Conformational Transitions in Biological Macromolecules

   Författare :Cathrine Bergh; Erik Lindahl; Gerhard Hummer; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Protein conformational transitions; molecular dynamics simulations; statistical mechanics; ion channels; Proteinkonformationsövergångar; molekyldynamiksimuleringar; statistisk mekanik; jonkanaler;

   Sammanfattning : To be alive means to temporarily counteract the fundamental dispersive driving force described by the second law of thermodynamics, eventually leading all systems to decay and disorder. In cells, this task is partly carried out by proteins - small specialized molecular machines that utilize free energy to maintain the proper functioning of the cell. LÄS MER

7. 5. Computational Study of Calmodulin’s Ca2+-dependent Conformational Ensembles

   Författare :Annie M. Westerlund; Erik Lindahl; Lucie Delemotte; Björn Wallner; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics; Calmodulin; Free energy estimation; Gaussian mixture models; Spectral clustering; conformational selection; Biological Physics; Biologisk fysik;

   Sammanfattning : Ca2+ and calmodulin play important roles in many physiologically crucial pathways. The conformational landscape of calmodulin is intriguing. Conformational changes allow for binding target-proteins, while binding Ca2+ yields population shifts within the landscape. Thus, target-proteins become Ca2+-sensitive upon calmodulin binding. LÄS MER