Browsing Fakultät für Physik (inkl. GAUSS) by Referee "Grubmüller, Helmut Prof. Dr."
Now showing items 1-18 of 18
-
Stochastic (thermo)dynamics of molecular coupled processes
(2024-12-18)Out of equilibrium biological processes are the key for life. From large animals to the smallest proteins, life is sustained by a continuous throughput of free energy. This happens through the exchange of some form of ... -
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 ... -
Investigating cellular nanoscale with x-rays from proteins to networks
(2016-08-12)In this work, two macromolecules, both essential components of cells (keratin protein and DNA nucleic acid) were studied by X-ray techniques. I described the implementation and use of different methods to investigate 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 ... -
From Slow to Ultra-fast MAS: Structural Determination of Type-Three Secretion System Bacterial Needles and Inorganic Materials by Solid-State NMR
(2014-12-16)This work on solid-state NMR methodologies and applications is divided in three parts. In the first part, three methods for solid-state NMR at ultra-fast Magic-Angle Spinning (MAS) are introduced: completely low-power ... -
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 ... -
Single-molecule experiments with mitotic motor proteins
(2012-10-24)This cumulative PhD thesis covers in five chapters (chapters 2, 3, 4 and 5 consisting of published papers and chapter 6 consisting of a submitted manuscript) new findings on different aspects of the regulation of kinesin-5 ... -
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 ... -
Ab-initio Studies of X-ray Scattering
(2010-07-15)As the emergence of the FEL sources opens up new opportunities in material research, the theory and modeling of the behavior of matter in strong x-ray laser fields, as well as novel approaches ... -
Eine Symmetrie der visuellen Welt in der Architektur des visuellen Kortex.
(2009-12-15)Neurons in the visual cortex respond best to oriented visual stimuli at a particular position in the visual field. Their selectivities for position and orientation vary systematically along ... -
Enhanced Conformational Sampling of Proteins Using TEE-REX
(2008-02-29)Today's standard molecular dynamics (MD) simulations of moderately sized biomolecular systems at full atomic resolution are typically limited to the sub-microsecond timescale and therefore suffer from limited conformational ... -
Selectivity, Regulation, and Inhibition of Aquaporin Channels. A Molecular Dynamics Study
(2008-02-19)Aquaporins (AQPs) form a large family of transmembrane protein channels which have been found throughout nature. AQPs facilitate the highly efficient and selective flux of water across biological membranes, whereas ... -
Functional Domain Motions and Processivity in Bacterial Hyaluronate Lyase
(2007-08-02)Processive enzymes are a special class of enzymes which presumably remain attached to their polymeric substrates between multiple rounds of catalysis. Due to this property, the substrate ... -
Modelling and simulation of surface morphology driven by ion bombardment
(2006-06-22)Non-equilibrum surfaces, at nanometer length scales, externally driven via bombardment with energetic particles are known to exhibit well ordered patterns with a variety of applications in ...