2,614 search results for “computer aided drug design” in the Public website
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Joran Lammers
Science
j.a.lammers@cml.leidenuniv.nl | +31 71 527 2727
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Drug-target residence time: a case for the adenosine A1 and A2A receptors
Promotor: Prof.dr. A.P. IJzerman, Co-Promotor: Dr. L.H. Heitman
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generation human IPSC-derived reporter systems for image-based analysis of drug adversity
Analysis of drug adversity
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Computational modeling of cellular dynamics in tumor cell migration
Epithelial-mesenchymal plasticity (EMP) and tumor cell migration play an important role in cancer progression, and an improved understanding of the mechanisms underlying these concepts is essential for developing new targeted approaches.
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Systems microscopy-based drug target discovery in pathogen-meidated inflammatory respons signalling
Establishing human induced pluripotent stem cell (iPSC) CRISPR-Cas9-based fluorescent reporter cell lines for NF-kB signalling. We will use this to enable studying the dynamic activation and downstream signalling of Toll-like receptor and cytokine signalling in iPSC-derived differentiated cells in a…
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Alice & Eve 2024: women in computing
Conference
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Personalised pharmacotherapy in paediatric epilepsy : the path to rational drug and dose selection
The path to rational drug and dose selection
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Cytochrome P450 3A-mediated first-pass and systemic drug metabolism in children
From descriptive to physiological models that can predict oral absorption and elimination of CYP3A substrates across the pediatric age range.
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A community effort to assess and improve drug sensitivity prediction algorithms
Source: Nature Biotechnology, Volume 2014, Issue June (2014)
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Teacher knowledge and lesson design
The studies reported in this thesis were situated in the context of an innovation of Dutch secondary school biology curricula. As in any innovation, the practical knowledge of teachers determine the outcomes through the decisions they make while planning and teaching their lessons. The aim of the studies…
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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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throughput microscopy for cellular adaptive stress response pathways in drug adversity
High throughput microscopy
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Streetcorner design in Accra, Ghana
Consumer societies are a global presence, and marketing practices have spread to all corners of the world. However, the loud and glaring performances of the big advertising companies and the hegemony of shopping malls makes us forget that there are many different markets, and many merchants who have…
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Hildert Bronkhorst
Science
h.bronkhorst@biology.leidenuniv.nl | +31 71 527 4964
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Gerard van Westen: 'Our model predicts what candidate drugs do in your body'
He’s a fast and animated speaker, which is only logical because Gerard van Westen is driving an express train. His destination? A virtual human, consisting of algorithms that predict what an administered substance will do in the body. The train is already a long way down the line and the pharmaceutical…
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The impact of obesity on the pharmacokinetics of drugs in adolescents and adults
Promotores: C.A.J. Knibbe; J.N. van den Anker, Co-promotores: H.P.A. van Dongen; B. van Ramshorst
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Leiden Embedded & Real-time Computing (LERC)
Leiden Embedded & Real-time Computing (LERC) is an expert lab and leader in advanced research on embedded and real-time systems and software. The main mission of LERC is by its research to contribute in a highly innovative way to the system-level design of embedded and cyber-physical systems and software…
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Transforming data into knowledge for intelligent decision-making in early drug discovery
Promotor: A.P.IJzerman Co-promotor: A. Bender
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Developing drugs with artificial intelligence
Developing new drugs is a difficult process. With the aid of artificial intelligence, Pharmaceutical scientist Xuhan Liu has developed methods that can help make drug design cheaper and faster. PhD defence on 15 February.
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Mutagenic mechanisms in normal and neoplastic B cells: From AID- induced diversification to genome-wide patterns
PhD defence
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Explicit computations with modular Galois representations
Promotor: S.J. Edixhoven
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Exploring chemical space in covalent and competitive glycosidase inhibitor design
Glycoside hydrolases (glycosidases/GHs) are widely abundant enzymes in all kingdoms of life and are important biocatalysts that catalyze the hydrolysis of glycosidic linkages in oligo/polysaccharides, glycoproteins and glycolipids with tremendous efficiency
- Leiden Institute of Advanced Computer Science
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Bridging Art, Design and Technology through Critical Making
How can the concept of Critical Making be expanded into a general approach that ties the critical methodology of artistic research, and the established concepts of artistic autonomy, together with contemporary creative-technological development?
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A community computational challenge to predict the activity of pairs of compounds
Source: Nat Biotechnol, Volume 32, Issue 12, pp. 1213-22 (2014)
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Systems microscopy to unravel cellular stress response signalling in drug induced liver injury
Promotor: B. van de Water
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Rational Design of Athero-Protective Vaccines; Novel Vaccine Formulations and Alternative Routes of Administration
Atherosclerosis is a chronic inflammatory disease affecting millions of people world-wide.
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Perfect for designing new molecules
Even a small quantum computer should be able to simulate exactly the properties and behaviour of new molecules. This would take chemistry to an entirely new level. Better solar panels, more powerful batteries, saving lots of energy in the chemical industry: the applications have the potential to transform…
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Nusa Zidaric
Science
n.zidaric@liacs.leidenuniv.nl | +31 71 527 4799
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Integrating cellular and tissue dynamics with cell fate decisions through computational modeling
There is a need for alternative methods to replace, reduce and refine (3R) animal experimentation. Combining experimental data from high-throughput in vitro studies with in silico modeling is a promising approach to unravel the effect of chemicals on living cells and to gain a better understanding of…
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Qinyu Chen
Science
q.chen@liacs.leidenuniv.nl | +31 71 527 2727
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New quantum computer design to predict molecule properties
The standard approach to build a quantum computer with Majoranas as building blocks is to convert them into qubits. However, a promising application of quantum computing—quantum chemistry—would require these qubits to be converted again into so-called fermions. Physicists from Leiden and Delft suggest…
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quantification of growth hormone secretion : application of model-informed drug development in acromegaly
Growth hormone profiles are pulsatile and highly variable between individuals, limiting the implementation of mathemathical models to quantify an individual's secretion.
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Research and design in STEM education
Research and design are two activities that are becoming increasingly important in the Dutch subjects O&O (‘research and design’) and NLT ('nature, life and technology’). The dissertation of Tessa Vossen (ICLON and Faculty of Science) indicates that teachers and students understand the importance of…
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value of semi-physiological models for clearance of renally excreted drugs across the paediatric age range
The kidneys play a major role in the elimination of drugs. In children, the exact age-related physiological changes underlying kidney function remain largely unknown.
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Gene networks-based mechanistic assessment of drug-induced organ toxicity: a focus on liver and kidney
Drug induced organ toxicity is the main problem of the drug development and drug usage in the clinic. The liver and kidneys are the most sensitive organs towards drug induced toxicity.
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How to design a course (UTQ module)
Didactics
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Designing the quantum future on a regular computer
Computer scientist Tim Coopmans uses pen, paper and regular computers to simulate the best possible quantum computer. He tells about his research and how this helps make a useful quantum computer a reality a little bit sooner. ‘I hope I will get to see quantum computers contributing something really…
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system-based pharmacology approach to predict developmental changes in renal drug clearance in children
Promotores: Prof.dr. C.A.J. Knibbe, Prof.dr. M. Danhof, Prof.dr. K. Allegaert (Leuven)
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Design and synthesis of next generation carbohydrate-mimetic cyclitols: towards deactivators of inverting glycosidases and glycosyl transferases
Synthetic methodlogy is described, aiding in the synthetic preparation of putative inhibitors of retaining and inverting glycosidases and glycosyl transferases. All constructs are cyclophellitol-based cyclitols.
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infectious diseases; nanotechnology as a platform for rational vaccine design
Currently, several successful vaccines are available. However, for pathogens with a highly variable genetic composition, and for which serum IgG antibodies are not a useful correlate of protection, effective vaccines are yet to be developed.
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Using a practical teaching model by beginning teachers learning to design lessons.
Beginning teachers often experience difficulties making activating lessons. This study investigates how and if the practical teaching model can offer them a hand in learning to design lessons.
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Contribution to international book on enforcement of State aid law
In January 2020 the book “Private Enforcement of European Competition and State Aid Law”, edited by Ferdinand Wollenschläger, Wolfgang Wurmnest & Thomas M.J. Möllers, was published by Wolters Kluwer.
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Artifical intelligence gets a boost from quantum computing
Machine learning - on classical computers- has made great progress in the past five years. Computer translation of speech and text is just one example. In Leiden, some researchers expect that machine learning, empowered by quantum systems, even if they only contain a few dozen qubits, can lead to a…
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Polypept(o)ide-based Cylindrical Polymer Brushes as Multifunctional Drug Delivery Systems
The polypept(o)ide hybrid material attracted more and more attention over the past decade by combining the multifunctional characteristics of polypeptides with the shielding characteristics of polypeptoid-pSar possessing similar properties as a shielding material as polvethylene glycol(PEG). Polysarcosine…
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PROTEOMINING: a novel proteomics-based pipeline for drug and enzyme discovery in filamentous actinomycetes
Can a new proteomics workflow be developed to link genes and gene clusters to bioactive molecules, identify novel compounds and enhance the production in the Streptomyces lividans enzyme?
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Kinetics for Drug Discovery: a Case for the Adenosine A3 receptor
Supervisor: Lizi Xia
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Design of homogeneous water oxidation catalysts
To design the ideal water oxidation catalyst, understanding of the catalytic mechanism and decomposition pathways is essential.
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Automated Design and Analysis of Algorithms
The Automated Design and Analysis of Algorithms (ADA) research group pursues the development of Artificial Intelligence techniques that complement, rather than replace, human intelligence.
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Whole-cell biosensor for label-free detection of GPCR-mediated drug responses in personal cell lines
Source: Biosens Bioelectron, Volume 74, pp. 233-42 (2015)