545 zoekresultaten voor “computational chemistry” in de Publieke website
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regular and deuterated water in space: a combined laboratory and computational study
Promotor: Prof.dr. H.V.J. Linnartz
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Bridging the gap between physics and chemistry in early stages of star formation
A dense region of a gaseous and dusty cloud collapses to form a protostar surrounded by a disk and an envelope. This thesis uses both observations and models to study physical and chemical conditions of these protostellar systems which are likely where planets start to form.
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Fons Verbeek over computational bio-imaging op SleutelstadFM
Hoogleraar Fons Verbeek, verbonden aan de informatica- en biologie-instituten van de Universiteit Leiden, heeft de fascinatie om alles wat we niet direct kunnen zien, toch in beeld te brengen. Op SleutelstadFM vertelt hij dat door het omrekenen van 2 dimensionale (2D) beelden naar 3 dimensionale (3D)…
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Postdoc: Reactive scattering with electronic friction
Wiskunde en Natuurwetenschappen, Leids Instituut voor Chemisch Onderzoek (LIC)
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‘Chemistry in Conflict’ voor minister Bussemaker
Onderwijsminister Jet Bussemaker kreeg op de Dag van de Excellentie op 20 juni een exemplaar van ‘Chemistry in Conflict’, een educatief boek over de rol van chemie in oorlogsvoering. Ludo Juurlink, directeur van het Junior Science Lab, overhandigde het boek.
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Chemical Similarity: Structuring Risk and Hazard Assessment
At the moment, over 350.000 chemicals are registered worldwide for production and use. Their application, however, may harm human health and the environment.
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Medical Delta AI for Computational Life Sciences
Nu het steeds beter lukt om de moleculaire gegevens van cellen en weefsels te ontsluiten, schept dat ook direct een nieuwe uitdaging. Want hoe vind je uit die enorme hoeveelheid data de juiste informatie voor onderzoek?
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Lies Bouwman
Wiskunde en Natuurwetenschappen
bouwman@lic.leidenuniv.nl | +31 71 527 4550
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Kersverse hoogleraar Gerard van Westen wil grenzen doorbreken
Kersverse hoogleraar Gerard van Westen werkt op het snijvlak van kunstmatige intelligentie en medicijnontwikkeling. Voor de nieuwe leerstoel Artificial Intelligence and Medicinal Chemistry zet hij computermodellen in om medicijnontwikkeling efficiënter te maken. ‘ Ons ultieme doel is een virtuele mens…
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Leiden in de prijzen voor computational intelligence
Het Leiden Institute of Advanced Computer Science feliciteert alumnus Pepijn van Heiningen en de met de Technische Hochschule Köln gedeelde promovenda Samineh Bagheri. Allebei wonnen ze afgelopen week op het SSCI 2016 congres over computational intelligence in Athene een award voor de hoge kwaliteit…
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Click-to-release for immune cell activation
This work describes the use of click-to-release chemistry to get spatiotemporal control over immunocytokine activity. Until now, immunocytokines (cytokines coupled to a tumor-targeting-moiety) remained active throughout the body, being able to bind their respective receptors, causing mild to severe…
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Visual analytics for spatially-resolved omics data at single cell resolution: Methods and Applications
The deeper understanding of an organism's pathology is important for developing treatments. Over centuries of systematic research, clinical researchers have demonstrated that the more information they acquire about the cellular properties and their organisation in the tissue, the better they can understand…
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Topology and Geometry in Chiral Liquids
We study the interplay of topology and geometry with chirality for several passive and active systems, employing both analytical and numerical methods.
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How to make green hydrogen
Lezing, Tuesday Talks: Science Insights
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Transition metal compounds with S/N-functionalized NHC ligands: structures, redox properties and electrocatalytic activity
The research described in this thesis focused on the preparation of S/N functionalized carbene ligands and their transition metal complexes, and the exploration of their application as electrocatalysts for proton reduction.
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Inverse electron demand Diels-Alder pyridazine elimination: synthetic tools for chemical immunology
The inverse electron demand Diels-Alder (IEDDA) pyridazine elimination emerged in 2013 as a new bioorthogonal reaction and constitutes a prime example of what is now known as dissociative bioorthogonal chemistry. The research described in this Thesis aims to develop synthetic strategies which enable…
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Computability of the étale Euler-Poincaré characteristic
Promotor: S.J. Edixhoven, L.D.J. Taelman
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Synthetic peptides as tools in chemical immunology
This thesis has described novel synthetic methods to produce a variety of (glyco)peptides and their application in the study of various immunological processes.
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Superkleine scheidingstechniek op de voorkant van Analytical Chemistry
Onderzoekers van het Leiden/Amsterdam Centre for Drug Research en het Netherlands Metabolomics Centre hebben een van ’s werelds kleinste scheidingstechnieken weten te ontwikkelen door nanofluidische en elektrokinetische effecten te combineren. Vorige week verscheen hun onderzoek op de voorkant van het…
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Bioorthogonal Labeling Tools to Study Pathogenic Intracellular Bacteria
In this thesis, bioorthogonal chemistry is combined with correlative light-electron microscopy to selectively label and study pathogenic intracellular bacteria within the host immune cell.
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Marc Koper ontvangt de Netherlands Catalysis and Chemistry Award
Marc Koper heeft de Netherlands Catalysis and Chemistry Award ontvangen tijdens de 20e bijeenkomst van de Netherlands' Catalysis and Chemistry Conference. ‘De ultieme kandidaat voor deze prijs’, zo valt te lezen in een van de aanbevelingsbrieven.
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Biomimetic redox reactions of the Cu(II) μ-thiolate complex
Promotor: Prof.dr. E. Bouwman
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Mechanistic modelling of drug target binding kinetics as determinant of the time course of drug action in vivo
Drug-target binding kinetics determine the time course of the central event in pharmacotherapy: Drug-target interaction.
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Alexander Kros
Wiskunde en Natuurwetenschappen
a.kros@chem.leidenuniv.nl | +31 71 527 4234
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De geur van het universum
Voormalig promovendus Cameron Mackie krijgt niet één, maar twee proefschriftprijzen voor zijn proefschrift over het aromatische universum. Door zijn werk kunnen we binnenkort misschien een virtueel ‘snuifje’ van de ruimte nemen. ‘Deze moleculen in de ruimte ruiken waarschijnlijk als een grote houtsk…
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Algorithm selection and configuration for Noisy Intermediate Scale Quantum methods for industrial applications
Quantum hardware comes with a different computing paradigm and new ways to tackle applications. Much effort has to be put into understanding how to leverage this technology to give real-world advantages in areas of interest for industries such as combinatorial optimization or machine learning.
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Dr. Marcellus Ubbink benoemd tot hoogleraar Protein Chemistry
Dr. Marcellus Ubbink is dit voorjaar bij de Faculteit Wiskunde en Natuurwetenschappen benoemd tot hoogleraar Protein Chemistry. Ubbink kreeg in 2008 een Vici-subsidie van NWO.
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Unravelling cell fate decisions through single cell methods and mathematical models
Despite being the object of intense study, embryonic development has been difficult to model due to a number of reasons. First, complex tissues can be comprised of many cell types, of which we probably only know a subset.
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Fan Zhang
Wiskunde en Natuurwetenschappen
f.zhang@cml.leidenuniv.nl | +31 71 527 5615
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Bioorthogonal Antigens as Tool for Investigation of Antigen Processing and Presentation
In order to be able to develop effective medicine and treatments to prevent or cure autoimmune diseases or cancer we need to understand the mechanisms how they arise and what drives their course.Unravelling the fundamental molecular mechanisms influencing the onset and course of diseases such as allergies,…
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Leiden Institute of Chemistry sleept vier NWO ECHO subsidies binnen
Naast de 2 TOP grants heeft het LIC ook nog 4 ECHO’s binnengehaald voor dr. Francesco Buda, professor Gijs van der Marel met Jeroen Codée, dr. Dmitri Filippov en professor Gilles van Wezel.
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The flux and flow of data: connecting large datasets with machine learning in a drug discovery envirionment
This thesis focuses on data found in the field of computational drug discovery. New insight can be obtained by applying machine learning in various ways and in a variety of domains. Two studies delved into the application of proteochemometrics (PCM), a machine learning technique that can be used to…
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Emerging approaches to study cell-cell interactions
The aim of this thesis is to study cell-cell interactions and the development of an assay to explore and quantify the exchange of membrane compounds.
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Proteins in harmony: Tuning selectivity in early drug discovery
This thesis describes the importance of being able to control the selectivity of potential drug candidates.
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Onze mensen
Dit zijn de mensen die binnen de Universiteit Leiden actief zijn op het gebied van kunstmatige intelligentie.
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Reactivity of cobalt(II)-dichalcogenide complexes: correlation between redox conversion and ligand-field strength
The redox-conversion reaction of metal-disulfide and metal-thiolate complexes are important, as they may shed light on electron-transfer reactions that often occur in Nature.
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Squaramide-based supramolecular polymers
Supramolecular polymers are class of materials that are formed by non-covalent interactions such as hydrogen bonding, π-π interactions, electrostatic interactions and the hydrophobic effect.
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Assistant Professor in Protein Design
Wiskunde en Natuurwetenschappen, Leids Instituut voor Chemisch Onderzoek (LIC)
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Lava worlds: characterising atmospheres of impossible nature
Over the last three decades, the discovery of exoplanets has revealed the boundless variety of worlds beyond our own Solar System. Majority of planetary systems contain short-period planets that are larger than Earth but smaller than Neptune.
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The developing infant gut microbiota: mathematical predictions of the effects of oligosaccharides
A complex community of microbes develops in the infant gut shortly after birth. We call this community the infant gut microbiota. The microbiota influences the health of the infant, which makes the composition and function of the infant gut microbiota an important topic to study.
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Synthetic peptides, nucleic acids and molecular probes to study ADP-Ribosylation
This thesis presents the first synthetic peptides ADP-ribosylated on serine, threonine, tyrosine, arginine and cysteine.
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Photo-activation of ruthenium-decorated upconverting nanoparticles
Metal-based prodrugs based on ruthenium(II) polypyridyl complexes have proven to be very suitable for application in both photodynamic therapy (PDT) and photo-activated chemotherapy (PACT).
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Synthesis of cyclic peptides as bioconjugation platforms
Cyclic peptides are investigated as a platform to induce different orientations between various ligands.
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Prof. Xander Tielens wordt hoogleraar ‘Physics and Chemistry of the Interstellar Medium‘
Prof. A.G.G.M. (Xander) Tielens wordt bij 1 januari bij de Faculteit der Wiskunde en Natuurwetenschappen benoemd tot hoogleraar ‘Physics and Chemistry of the Interstellar Medium’. Tielens werkt momenteel als senior onderzoeker bij Ames in Moffett Field, Californië. Ames is een onderdeel van NASA. Daarnaast…
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Arjan de Koning
Wiskunde en Natuurwetenschappen
koning@cml.leidenuniv.nl | +31 71 527 5653
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Sander van Kasteren
Wiskunde en Natuurwetenschappen
s.i.van.kasteren@chem.leidenuniv.nl | +31 71 527 2727
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Imaging of alkyne-functionalized ruthenium complexes for photoactivated chemotherapy
In photoactivated chemotherapy (PACT), a biologically active compound is caged by a light-cleavable protecting group.
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Insights from modeling metabolism and amoeboid cell motility in the immune system
This thesis focuses on two processes involved in fighting infections: metabolism and immune cell motility and navigation.
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Philipp Kropf
Wiskunde en Natuurwetenschappen
p.kropf@cml.leidenuniv.nl | +31 71 527 2727
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Computational User Modelling
Lezing