Browsing Fakultät für Physik (inkl. GAUSS) by Advisor "Grubmüller, Helmut Prof. Dr."
Now showing items 1-10 of 10
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Anomalous Diffusion in Protein Dynamics
(2022-02-14)Almost all processes in life are governed by proteins which are biomolecules consisting of a chain of amino acids. They perform a wide range of functions in organisms, including catalysis of metabolic reactions, transport ... -
Variational Approaches to Free Energy Calculations
(2021-01-21)Gradients in free energy are the driving forces of thermodynamic systems. Knowledge thereof thus enables a first-principles understanding of condensed-phase many-body systems such as macromolecular assemblies, colloids or ... -
Structure Determination From Single Molecule X-Ray Scattering Experiments using Photon Correlations
(2018-06-18)Scattering experiments with femtosecond high-intensity free-electron laser pulses provide a new route to macromolecular structure determination without the need for crystallization at low material usage. In these ... -
Transfer RNA translocation through the ribosome
(2015-02-24)During the elongation cycle, ribosomes create peptides from an mRNA blueprint. To prime the ribosome for a new round of elongation after peptide bond formation, the transfer RNA (tRNA) bound to the aminoacyl site (A site) ... -
Bayesian structure reconstruction from single molecule X-ray scattering data
(2015-02-11)X-ray free electron lasers (XFEL) offer new possibilities for molecular structure determination in single molecule experiments. In this thesis, I propose and assess two alternative Bayesian approaches, namely Orientational ... -
Auger decay in double core ionized molecules
(2013-09-09)X-ray free electron lasers allow to create and probe double core holes in molecules via successive ionization in considerable amount. The properties of these double core ionized states are in particular relevant for the ... -
Primary Effects of X-ray and Photo-Absorption Induced Excitations in Biomolecules
(2013-06-27)To see whether single molecule scattering experiments can yield atomic resolution structures of biomolecules, it is necessary to understand the physics underlying the radiation damage processes induced by the X-ray ... -
Estimating Orientational Water Entropy at Protein Interfaces
(2012-02-09)The entropy of solvents significantly contributes to the stability of the native state of proteins. However, obtaining solvent entropies from molecular dynamics simulations remains a ... -
Investigation of Laser-Induced-Liquid-Beam-Ion-Desorption (LILBID) with Molecular Dynamics Simulations
(2010-12-22)Erst kürzlich wurde Laser-Induced-Liquid-Beam-Ion-Desorption (LILBID) eine neue Technik zur Ionisation in der Massen Spektrometrie entwickelt. Diese Technik ist vergleichbar weich und ... -
Mechanical Properties of Icosahedral Viral Shells. A Molecular Dynamics Study
(2009-04-03)The mechanical properties of viral shells are crucial for viral assembly and infection. To study their distribution and heterogeneity on the viral surface, we have carried out atomistic ...