545 zoekresultaten voor “computational chemistry” in de Publieke website
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Non-linear astrochemical kinetics: theory and applications
This Thesis shows discoveries in non-linear astrochemical kinetics as well as a deeper analysis of dark clouds chemistry.
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Nieuwe techniek om bloedvaten te bestuderen
Sonja Boas ontwikkelde nieuwe technieken om het groeiproces van bloedvaten op computationele wijze te bestuderen. De resultaten van haar onderzoek geven een beter begrip van mechanismen in bloedvatgroei en dat is relevant voor de ontwikkeling van medische therapieën. Promotie op dinsdag 22 december…
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Structure-reactivity relationships in glycosylation chemistry
Promotie
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Diego Barbosa Arize Santos
Faculteit der Sociale Wetenschappen
d.barbosa.arize.santos@fsw.leidenuniv.nl | +31 71 527 2727
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Charles Berger
Faculteit Rechtsgeleerdheid
c.e.h.berger@law.leidenuniv.nl | +31 71 527 2727
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Algorithm for Structural Variant Detection
Structural variants (SVs) are the hidden architecture of the human genome, and are critical for us to understand diseases, evolution, and so on.
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Nieuw potentieel geneesmiddel onderdrukt door chemotherapie veroorzaakte neuropathische pijn
Onderzoeker Mario van der Stelt van onderzoeksinstituut Oncode heeft met zijn medewerkers een nieuw potentieel geneesmiddel (stofnaam: LEI-515) ontdekt dat door chemotherapie veroorzaakte neuropathische pijn onderdrukt.
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Een gedreven buitenstaander: J.H. van 't Hoff de eerste Nobelprijswinnaar voor Scheikunde
This dissertation presents a new perspective on the life, work and character of the Dutch physical chemist Jacobus Henricus van ’t Hoff, first recipient of the Nobel Prize in Chemistry, and one of the most important and colourful scientists in Dutch history. The image of Van ’t Hoff that emerges from…
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Superstructures of lipids and graphene
This thesis systematically analyzes the physical-chemistry of lipid-graphene interactions with the major objective of reconciliating the variety of results reported in the literature.
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Graphene at fluidic interfaces
In this thesis unconventional tools based on fluidic interfaces were developed to study the surface and interfacial chemistry of graphene, to characterize the intrinsic properties of graphene, to disentangle the effects of substrate and of the environmental factors, and to improve handling protocols…
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Vervolgopleidingen
Na het afronden van de bacheloropleiding volgen verreweg de meeste studenten de masteropleiding. De Universiteit Leiden stimuleert studenten om na hun bacheloropleiding door te gaan met de masteropleiding.
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Genomics applications of nanopore long-read sequencing for small to large sized genomes
In this thesis I highlight the applications of Oxford Nanopore Technologies (ONT) sequencing. This technique is a relatively new approach in the sequencing field, where nanopores are embedded in a membrane, DNA molecules are pulled through nanopores and an electrical current serving as the sequencing…
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Hydrogen dissociation on metal surfaces
Promotor: G. J. Kroes
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Hydrogen dissociation on metal surfaces
Dissociative chemisorption is an important reaction step in many catalytic reactions.
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NMR studies of protein-small molecule and protein-peptide interactions
Promotor: M. Ubbink, Co-promotor: G. Siegal
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CMLCA
CMLCA is a software tool that supports the technical steps of the Life Cycle Assessment. The focus of the program is on advanced computational aspects of life cycle inventory calculations.
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Scalability and uncertainty of Gaussian processes
The main theme of this thesis is the theoretical study of Gaussian processes as a tool in Bayesian nonparametric statistics.
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Determining the most appropriate dose metrics for evaluating dose-response relationships of metal-based nanoparticles to Zebrafish embryos
Promotores: Prof.dr. W.J.G.M. Peijnenburg & Dr. M.G. Vijver
- Onderzoeksfaciliteiten
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Assistant/Associate professor in Quantitative Ecology (0.8-1.0 fte)
Wiskunde en Natuurwetenschappen, Centrum voor Milieuwetenschappen Leiden (CML)
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Life Science & Technology (MSc)
Deze tweejarige masteropleiding wordt aangeboden door het Leiden Institute of Chemistry en heeft een focus op technologische en fundamentele kennis en expertise. Tijdens de opleiding doe je onderzoek naar de processen van de levende cel met fundamenteel wetenschappelijke én toegepaste technologie. Je…
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Computational modeling of non-native phonetic learning and spoken word processing
Lezing
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De moleculaire geheimen van medicinale cannabis
Chronische pijn, misselijkheid of braken door chemotherapie. Als je er last van hebt, kan medicinale cannabis een uitkomst zijn. Het nadeel is alleen wel dat patiënten er high van kunnen worden. Leidse onderzoekers van het Oncode Instituut doen daarom onderzoek naar alternatieven waar je dat niet van…
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Activity-Based Proteasome Profiling
Promotor: Prof.dr. H.S. Overkleeft
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Search and Rescue: Tackling antibiotic resistance with chemistry
Promotie
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Learning together: Behavioral, computational, and neural mechanisms underlying social learning in adolescence
Promotie
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Integrating cellular and tissue dynamics with cell fate decisions through computational modeling
Promotie
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Computational aspects of class group actions and applications to post- quantum cryptography
Promotie
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Computational modeling of pharmacokinetics and tumor dynamics to guide anti-cancer treatment
Promotie
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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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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).