450 zoekresultaten voor “computational chemistry” in de Publieke website
-
Chemical tools to study lipid signaling
Synthesis and application of chemical biology tools to study immunomodulatory signaling lipids.
-
The advantages and disadvantages of bioorthogonal proteins
This thesis describes the use of bioorthogonal proteins in immunological settings. It provides an introduction towards the field of protein modification, which was used throughout the thesis for the expression of proteins containing unnatural amino acids.
-
To explore the drug space smarter: Artificial intelligence in drug design for G protein-coupled receptors
Over several decades, a variety of computational methods for drug discovery have been proposed and applied in practice. With the accumulation of data and the development of machine learning methods, computational drug design methods have gradually shifted to a new paradigm, i.e. deep learning methods…
-
Unconventional fabrication of 2D nanostructures and graphene edges
In this work, we illustrate unconventional approaches towards the fabrication of edge functionalized graphene nanostructures and bidimensional architectures in polymeric and metallic supports, with an outlook towards molecular sensing devices.
-
Surendra Balraadjsing
Wiskunde en Natuurwetenschappen
s.balraadjsing@cml.leidenuniv.nl | +31 71 527 2727
-
Simon Portegies Zwart in de Volkskrant over nieuw Jupitermaantje
Valetudo, zo hebben de astronomen het nieuw ontdekte Jupitermaantje genoemd. Het is een weerbarstig exemplaar dat dwars tegen haar soortgenoten in beweegt. In de Volkskrant reageert Leidse astronoom Simon Portegies Zwart op de bijzondere ontdekking.
-
Fate, accumulation and ecotoxicity of copper nanoparticles under environmentally relevant conditions
Fate and toxicity of copper nanoparticles was related to the water chemistry of the environment and pristine size.
-
Integrated life cycle assessment and life cycle costing of concrete recycling in the Netherlands
Integrating life cycle assessment (LCA) with life cycle costing (LCC) offers the opportunity to simultaneously analyze the environmental and economic aspects of product alternatives, for the integration of which a unified computational has been proposed by Heijungs et al. (2013) [1]. The project aims…
-
Chemical functionalization of the graphene surface for electrical and electrochemical sensing application
Advanced sensing techniques require graphene with high quality and well-controlled surface chemistry.
-
Optimization of quantum algorithms for near-term quantum computers
This thesis covers several aspects of quantum algorithms for near-term quantum computers and its applications to quantum chemistry and material science.
-
Targeting Human Proteasomes: Substrates, Inhibitors and Prodrugs
Large parts of the research described in this Thesis aims at the development of oligopeptide-masked toxins and their in situ immunoproteasome-mediated activation.
-
Lipid bilayers decorated with photosensitive ruthenium complexes
Promotor: Prof.dr. E. Bouwman, Co-promotor: S. Bonnet
-
Inhibitor Selectivity: Profiling and Prediction
Less than 1 in 10 drug candidates that enter phase 1 clinical trials actually gets approved for human use.
-
LDE Joint Minor Sustainable Chemistry and Biotechnology
Studievoorlichting
-
Informatica
Computational thinking, programming, and algorithms form the basic of many of the things that are shaping our world, the way we work, interact, organize ourselves, and even spend our free time with social networks, streaming media, and games. And this transformation is far from being complete, it is…
-
Multi-Objective Bayesian Global Optimization for Continuous Problems and Applications
A common method to solve expensive function evaluation problem is using Bayesian Global Optimization, instead of Evolutionary Algorithms.
-
Algebraic filters for filtered backprojection
Promotor: K.J. Batenburg, Co-promotor: A.W. van der Vaart, B. de Smit
-
Modelling the role of cytotoxic T lymphocytes in tumour regression
Immunotherapies for cancer are an emerging class of therapeutic strategies which aim to treat cancer via augmentation of the immune system.
-
Multi-dimensional feature and data mining
In this thesis we explore machine and deep learning approaches that address keychallenges in high dimensional problem areas and also in improving accuracy in wellknown problems. In high dimensional contexts, we have focused on computational fluid dynamics (CFD) simulations.
-
Discovery of novel inhibitors to investigate diacylglycerol lipases and α/β hydrolase domain 16A
Promotor: H.S. Overkleeft, Co-promotor: M. van der Stelt
-
Molecular and Nano-Engineering with Iron, Ruthenium and Carbon: Hybrid structures for Sensing
Metal complexes and 2D materials like graphene were combined to produce structures that can function as sensors.
-
Affinity-based profiling of the adenosine receptors
The adenosine receptors are proteins that reside in the extracellular membranes of cells. Activation of adenosine receptors plays a role in many physiological and pathological processes, such as immune responses and cancers.
-
Roxanne Kieltyka
Wiskunde en Natuurwetenschappen
r.e.kieltyka@chem.leidenuniv.nl | +31 71 527 4441
-
Mario van der Stelt
Wiskunde en Natuurwetenschappen
m.van.der.stelt@chem.leidenuniv.nl | +31 71 527 4768
-
A molecular journey : tales of sublimating ices from hot cores to comets
The thesis explores how interstellar chemistry evolves as a function of time and changing physical architectures during the formation of stars.
-
NMR Faciliteit
Met de NMR faciliteit doen we onderzoek naar de synthese van paramagnetische moleculen om kennis te vergaren over de structuur en dynamiek van eiwitten. Deze kennis kan dienen als basis voor een medicijn dat zich hecht aan een eiwit of voor de ontwikkeling van vaccins. Medicijnontwikkeling is één van…
-
From midplane to planets : the chemical fingerprint of a disk
This thesis addresses the chemical processes that determine the compositions of giant planet atmospheres.
-
Voorlichtingswebinar minor Sustainable Chemistry and Biotechnology
Studievoorlichting
-
Leidse sterrenkundigen schrijven IEEE Software Impact column
De eer was aan Professor Simon Portegies Zwart en doctor Jeroen Bédorf om voor het blad IEEE Software te schrijven.
-
Cochlear Implants: Bridging the gap between computational model and clinic
Promotie
-
Erfgoed gezocht
Altijd al een grafheuvel willen ontdekken? Of zelf willen speuren naar archeologische resten op de Veluwe? Doe dan nu mee met Erfgoed Gezocht! De Veluwe bevat zo veel archeologische resten dat archeologen alleen deze onmogelijk allemaal in kaart kunnen brengen! Je kan nu meedoen met de speurtocht via…
-
Linguistics (specialisation) (MA)
In de masteropleiding Linguistics (specialisation) van de Universiteit Leiden kun je kiezen uit acht thema's: Applied Linguistics; Comparative Indo-European Linguistics; Computational Linguistics; Language and Communication; Language Description and Documentation; Language Processing and Cognition;…
-
Atom addition reactions in interstellar ice - new pathways towards molecular complexity in space -
Promotor: Prof.dr. H.V.J. Linnartz, Co-Promotores: S. Ioppolo, H.M. Cuppen
-
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.
-
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…
-
Diego Barbosa Arize Santos
Faculteit der Sociale Wetenschappen
d.barbosa.arize.santos@fsw.leidenuniv.nl | +31 71 527 2727
-
Charles Berger
Faculteit Rechtsgeleerdheid
c.e.h.berger@law.leidenuniv.nl | +31 71 527 2727
-
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.
-
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…
-
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.
-
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…
-
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.
-
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…
-
Hydrogen dissociation on metal surfaces
Promotor: G. J. Kroes
-
Hydrogen dissociation on metal surfaces
Dissociative chemisorption is an important reaction step in many catalytic reactions.
-
NMR studies of protein-small molecule and protein-peptide interactions
Promotor: M. Ubbink, Co-promotor: G. Siegal
-
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.
-
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.
-
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