Search for dissertations about: "molekyldynamiksimuleringar"
Showing result 1 - 5 of 7 swedish dissertations containing the word molekyldynamiksimuleringar.
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1. From Static Structures to Free Energy Landscapes: Characterizing Conformational Transitions in Biological Macromolecules
Abstract : 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. READ MORE
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2. A Theoretical Investigation of the Octapeptide Region in the Human Prion Protein
Abstract : Den kopparbindande egenskapen hos prionproteiner är sannolikt kopplad till proteinets funtion. Det mänskliga prionproteinet innehåller ett kopparbindande oktapeptidområde, där PHGGGWGQ-sekvensen upprepas fyra gånger i följd. READ MORE
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3. Properties of multilayered and multicomponent nitride alloys from first principles
Abstract : This thesis is a theoretical exploration of properties of multilayered and multicomponent nitride alloys, in particular their mixing thermodynamics and elastic behaviors. Systematic investigation of properties of a large class of materials, such as the multicomponent nitride solid solutions, is in line with the modern approach of high-throughput search of novel materials. READ MORE
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4. Theoretical Studies of Drug-Metabolizing Cytochrome P450 Enzymes
Abstract : The family of cytochrome P450 enzymes (P450s) belongs to one of the most important enzyme families in the human body. P450s are involved in the synthesis of endogenous compounds and metabolism of exogenous substances. READ MORE
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5. Structure, Dynamics and Thermodynamics of Liquid Water : Insights from Molecular Simulations
Abstract : Water is a complex liquid with many unusual properties. Our understanding of its physical, chemical and biological properties is greatly advanced after a century of dedicated research but there are still many unresolved questions. READ MORE