Mathematisch-Naturwissenschaftliche Fakultät: Auflistung Mathematisch-Naturwissenschaftliche Fakultät nach Titel
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Composite Finite Elements for Trabecular Bone Microstructures
(2010-11-19)In many medical and technical applications, numerical simulations need to be performed for objects with interfaces of geometrically complex shape. We focus on the biomechanical problem of elasticity simulations for trabecular ... -
Comprehensive population synthesis predictions for massive binary stars in the Small Magellanic Cloud
(2024-01-30)The past and ongoing gravitational wave detections have fostered a wide interest in understanding the formation of binary black holes (BBHs). Several formation scenarios have been proposed, including the evolution of ... -
Computation of Electronic Excitation Spectra of Large Biomolecular Systems
(2020-11-30)This thesis presents the theoretical investigation of electronic excitation spectra and nonlinear responses of large biomolecular systems (e.g., proteins or deoxyribonucleic acid fragments), with a particular focus on the ... -
Computation of Mass Spectra Using Quantum Chemical Methods
(2022-11-23)Mass spectrometry (MS) is widely used for the structural elucidation of compounds in a vast variety of scientific research. Unfortunately, many methods that aim to predict mass spectra cannot often elucidate the complete ... -
Computational Analysis of Assay Interference and Compound Promiscuity in Medicinal Chemistry
(2019-06-21)Compound promiscuity offers both opportunities and perils for medicinal chemistry and drug discovery. On the one hand, it is well-established that compounds elicit their therapeutic potential by engaging with multiple ... -
Computational Analysis of Pathophysiological Mechanisms Based on Pathway Modeling
(2019-12-18)The advent of the big data era poses major challenges to the biomedical domain. First, it is necessary to adopt strategies that integrate and link the heterogeneous resources that contain multiscale and multimodal data in ... -
Computational Analysis of Structure-Activity Relationships: From Prediction to Visualization Methods
(2012-07-18)Understanding how structural modifications affect the biological activity of small molecules is one of the central themes in medicinal chemistry. By no means is structure-activity relationship (SAR) analysis a priori ... -
Computational Electrochemistry of 3d Transition Metal Complexes
(2024-02-05)The topic of this thesis is the computational quantum chemical (QC) description of homogeneous first-row (3d) transition metal (TM) electrocatalysis. This branch of chemistry holds great potential for employing Earth-abundant ... -
Computational Exploration of Virus Diversity on Transcriptomic Datasets
(2019-11-21)Most of the ongoing virus research is focused on mammalian and bird viruses, which are well known to be directly or indirectly associated with human diseases. While many viruses are transmitted by blood-feeding arthropods ... -
Computational Methods for Structure-Activity Relationship Analysis and Activity Prediction
(2015-11-05)Structure-activity relationship (SAR) analysis of small bioactive compounds is a key task in medicinal chemistry. Traditionally, SARs were established on a case-by-case basis. However, with the arrival of high-throughput ... -
Computational Methods for the Integration of Biological Activity and Chemical Space
(2009-12-14)One general aim of medicinal chemistry is the understanding of structure-activity relationships of ligands that bind to biological targets. Advances in combinatorial chemistry and biological screening technologies allow ... -
Computational Methods Generating High-Resolution Views of Complex Structure-Activity Relationships
(2014-05-12)The analysis of structure-activity relationships (SARs) of small bioactive compounds is a central task in medicinal chemistry and pharmaceutical research. The study of SARs is in principle not limited to computational ... -
Computational Modeling of Complex Chemical Transformations in Homogeneous Catalysis
(2023-09-18)Catalysis is involved in most manufactured products and hence it is highly important for supplying the society with energy, food, pharmaceuticals and other goods. In recent years, increasing attention has been paid to the ... -
Computational Simulation of Trabecular Bone Distribution around Dental Implants and the Influence of Abutment Design on the Bone Reaction for Implant-Supported Fixed Prosthesis
(2011-09-30)Computational modelling of trabecular bone distribution based on the remodelling process is a challenging issue. Up to now, most of bone remodelling models attempted to describe the remodelling process with noncemented ... -
Computational Studies of the Escherichia coli Multidrug Efflux Pump AcrAB-TolC
(2014-09-05)When it was known that special substances were able to kill microbes, it was observed that some organisms were unaffected by normally lethal doses. During the last decades, the excessive usage of antibiotics has led to ... -
Computational studies on δ-branch G protein-coupled P2Y and related orphan receptors
(2023-06-26)G protein-coupled receptors (GPCRs) represent an attractive target for drug development as the modulation of their activity can induce a desired physiological response to treat pathological conditions. Given the knowledge ... -
Computer Assisted Diagnosis in PET/CT: Machine Learning for Prognosis in Oncological Patients
(2022-03-29)Artificial intelligence (AI) has revolutionised problem solving in a wide range of industrial as well as research domains. Particularly, computer-aided diagnosis (CAD) and clinical decision support systems (CDSSs) as ... -
The concealed Tamworth Belt (New England Orogen): stratigraphic and geophysical observations depicting a thrust-related geometry in southern Queensland, Australia
(2005)The subsurface geometry and tectonic development of the Devonian-Carboniferous Tamworth Belt, a fore-arc basin in the New England Orogen, Eastern Australia, has been examined using seismic reflection, drill core data, ... -
Concentration Dependent Ion–Protein Interaction Patterns Underlying Protein Oligomerization Behaviours
(2017-07-27)Most proteins do not exist as monomers. Instead, proteins assemble into oligomeric structures, which range from small dimers to intermediately sized clusters to large polymers. Oligomerization is driven by protein–protein ... -
Concepts for the Representation, Storage, and Retrieval of Spatio-Temporal Objects in 3D/4D Geo-Informations-Systems
(2004)The quickly increasing number of spatio-temporal applications in fields like environmental management or geology is a new challenge to the development of database systems. This thesis addresses three areas of the problem ...
