446 zoekresultaten voor “computational chemistry” in de Publieke website
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Activity-Based Proteasome Profiling
Promotor: Prof.dr. H.S. Overkleeft
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Wetenschappers vinden achterdeur voor medicijnen
Een team van onderzoekers, onder wie chemicus Mario van der Stelt, heeft een nieuwe manier ontdekt om een van de menselijke kernreceptoren te blokkeren. De onderzoekers verwachten dat hun vinding een flinke impact heeft in de wereld van medicijnonderzoek. Publicatie in Nature Communications.
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Computational modeling of pharmacokinetics and tumor dynamics to guide anti-cancer treatment
Promotie
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Willie Peijnenburg
Wiskunde en Natuurwetenschappen
peijnenburg@cml.leidenuniv.nl | +31 71 527 5172
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Studieprogramma
De studie leert je om mee te denken over de beleidsmatige aanpak van belangrijke kwesties binnen onze samenleving. Het gaat vaak om complexe vraagstukken, waar je zelf de weg in moet vinden. Het studieprogramma maakt je daar stapsgewijs klaar voor.
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Data science
Het merendeel van de wetenschappers, van archeologen tot zoölogen, verzamelt enorme hoeveelheden gegevens. Hun databanken bevatten grote hoeveelheden informatie die voor de mens moeilijk te filteren zijn. Met een stevige basis in de statistiek en de computerwetenschappen kunnen we algoritmes ontwikkelen…
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Unfolding the regulation of stress response pathways upon liver injury
Drug-induced liver injury (DILI) is one of the main reasons for drug attrition during pre-clinical and clinical phases of drug development as well as for drug withdrawal post-marketing.
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Metabolomics assisted with stable-isotope labeling: exploring neuronal metabolism related to Parkinson’s disease
The progressive loss and degeneration of dopaminergic neurons is a major pathological hallmark of Parkinson's disease (PD). The onset and progression of PD can be triggered by multiple risk factors, for instance, genetic mutation, environmental exposure, and aging.
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Impact assessment modelling of matter-less stressors in the context of Life Cycle Assessment
Promotoren: Prof.dr. G.R. de Snoo en Dr. R. Heijungs
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Nanomaterial safety for microbially-colonized hosts: Microbiota-mediated physisorption interactions and particle-specific toxicity
The external tissues of plants and animals are colonized by microbial communities termed microbiota. When organisms are exposed to environmental pollutants, these substances will therefore encounter microbiota at the exposure interface.
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Knowledge Extraction from Archives of Natural History Collections
Natural history collections provide invaluable sources for researchers with different disciplinary backgrounds, aspiring to study the geographical distribution of flora and fauna across the globe as well as other evolutionary processes.
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Filter-based reconstruction methods for tomography
Promotor: K.J. Batenburg
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Large scale visual search
Promotor: J.N. Kok, Co-promotor: M.S. Lew
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Optimizing antifungal treatment through pharmacometrics: dosing considerations to enhance outcome
Fungal infections pose a significant threat to individuals with compromised immune systems and despite advancements in diagnosis and treatment, they continue to jeopardize patient’s health.
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Pair configurations to molecular activity coefficients: PAC-MAC
This thesis provides an overview of the development of the Pair Configuration to Molecular Activity Coefficient (PAC-MAC) model.
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Steady-State Analysis of Large Scale Systems
Promotor: W.Th.F. den Hollander Co-Promotor: F.M. Spieksma
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Two-Prover Bit-Commitments: Classical, Quantum and Non-Signaling
This thesis considers multi-prover commitment schemes whose security is based on restrictions on the communication between the provers.
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Nuclear Quantum Effects in Solid Water
Ice, the solid state of water, plays an important role on our planet as well as the entire universe.Despite the fact that an individual water molecule has a very simple structure, its chemical bonding in the solid phase can be surprisingly complex.
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Modelling the interactions of advanced micro- and nanoparticles with novel entities
Novel entities may pose risks to humans and the environment. The small particle size and relatively large surface area of micro- and nanoparticles (MNPs) make them capable of adsorbing other novel entities, leading to the formation of aggregated contamination.
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Clavis Aurea? Structure-enabled approaches of identifying and optimizing GPCR ligands
Promotores: A.P. IJzerman, H.W.T. van Vlijmen
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Inhibitors and activity-based probes for β-D-glucuronidases, heparanases and β-L-arabinofuranosidases
Glycosidases (GHs) are enzymes responsible for the degradation of carbohydrates and play many roles in human health and pathophysiology. Often, abnormal levels of glycosidase activity are markedly linked to human pathologies.
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The hunt for frozen organic molecules in space
Complex Organic Molecules (COMs) have been detected in objects across different stages of stellar evolution.
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Vervolgopleidingen
Wil je een volledige academische opleiding? Dan ga je na je bachelor door met een masteropleiding. Met een masterdiploma op zak heb je meer kans op een baan op academisch niveau. Na afronding krijg je de titel Master of Arts (MA).
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Towards automated identification of metabolites using mass spectral trees
Promotor: Prof.dr. T. Hankemeier, Co-promotor: Theo Reijmers
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Reactivity and Selectivity in Glycosylation Reactions
The glycosylation reaction is a pivotal reaction in creating new and complex oligosaccharides.
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Biotic ligand models
Description of Biotic ligand models: making an inventory of available models & assessment of the variability of the predicted HC5 using the BLMs in different Dutch water types (2005 - 2007)
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Core cross-linked polymeric micelles based on polypept(o)ides: from secondary structure formation of polypeptides to functional cross-linking
This thesis aimed to investigate core cross-linked polymeric micelles (CCPMs) and expand their potential for the delivery of hydrophobic drugs and co-factors.
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Applications of topology to Weyl semimetals and quantum computing
This thesis covers various applications of topology in condensed matter physics and quantum information.
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Exploring structure dependencies of gas-surface interactions with curved single crystals
Curved single crystals provide variable, but well-defined surface structures.
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Development of homogeneous catalysts for the selective conversion of levulinic acid to caprolactam
Promotors: Prof.dr. E. Bouwman, Prof.dr. E. Drent
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UV Photodesorption and Photoconversion of Interstellar Ices
This thesis is an experimental study of the UV irradiation of the interstellar ice analogues, relevant for the different stages of the star and planet formation sequence.
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Akrati Saxena
Wiskunde en Natuurwetenschappen
a.saxena@liacs.leidenuniv.nl | +31 71 527 2727
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Felix Frohnert
Wiskunde en Natuurwetenschappen
f.frohnert@liacs.leidenuniv.nl | +31 71 527 2727
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Nils Thonemann
Wiskunde en Natuurwetenschappen
n.thonemann@cml.leidenuniv.nl | +31 71 527 2727
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Hermen Overkleeft wint de 2015 Jeremy Knowles Award
Prof. Hermen Overkleeft is bekroond met de 2015 Jeremy Knowles Award van de Royal Society of Chemistry voor zijn innovatieve en inzichtelijke ontwikkeling van activity-based eiwit probes voor de beeldvorming en de identificatie van enzymen in gezondheid en ziekte. Van Overkleeft is in Leiden verbonden…
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A supramolecular chemistry approach for potentiating live attenuated whole-organism vaccines
Promotie
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Shape Analysis for Phenotype Characterisation from High-throughput Imaging
We have studied shape with a particular focus on the zebrafish model system. The shape is an essential appearance of the phenotype of a biological specimen and it can be used to read out a current state or response or to study gene expression.
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Computed fingertip touch for the instrumental control of musical sound with an excursion on the computed retinal afterimage
Promotor: Prof.dr. S. Haring
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Explorations of Water Oxidation Catalysis in Explicit Solvent
In the search for sustainable energy solutions, the idea of artificial photosynthesis has been proposed as an approach with which to use water and sunlight to produce hydrogen.
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Developing metabolomics for a systems biology approach to understand Parkinson's disease
Neurodegenerative diseases, including Parkinson’s disease (PD), are increasing in prevalence due to the aging population. Despite extensive study, these diseases are still not fully understood and the lack of personalised treatment options that can target the cause of the diseases, rather than the symptoms,…
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Adsorption and catalysis on Pt and Pd monolayer-modified Pt single crystal electrodes
The focus throughout this thesis will be on gathering fundamental studies of the detailed structure and composition of the electrode/electrolyte interface effect on the rate and mechanism of key electrocatalytic reactions.
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Using mouse models to uncover genes driving tumorigenesis and therapy resistance in human breast cancer
To improve cancer treatments, personalized medicine approaches have aimed to identify exactly which mutations are driving tumor development in a given patient and specifically target these mutations using precision therapies.
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Designing Ships using Constrained Multi-Objective Efficient Global Optimization
A modern ship design process is subject to a wide variety of constraints such as safety constraints, regulations, and physical constraints.
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Accelerating the Photocatalytic Water Splitting in Catalyst−Dye Complexes
As a virtually inexhaustible source, solar energy plays a major role in future global energy scenarios.
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High-throughput simulation studies of angiogenesis - Reverse engineering the role of tip cells and pericytes in vascular development
Promotor: Prof.dr. R.M.H. Merks
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PDI-SSH-subsidie voor AI-project Anne Meuwese
Met haar project WetSuite wil Meuwese AI-technieken die gebruikt kunnen worden om juridische overheidsdocumenten te analyseren toegankelijk maken voor een brede groep onderzoekers.
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Simon Portegies Zwart
Wiskunde en Natuurwetenschappen
spz@strw.leidenuniv.nl | +31 71 527 8429
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Marco Visser
Wiskunde en Natuurwetenschappen
m.d.visser@cml.leidenuniv.nl | +31 71 527 2727
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Evert van Nieuwenburg
Wiskunde en Natuurwetenschappen
e.p.l.van.nieuwenburg@liacs.leidenuniv.nl | +31 71 527 5523
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Duurzaamheid in onderwijs
In het onderwijs bieden wij alle studenten de mogelijkheid om kennis te maken met duurzaamheidsthema’s en –vraagstukken, waar mogelijk aansluitend bij de inhoud van hun opleiding.