2,519 search results for “computer aided drug design” in the Public website
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membranes and materials for solar-to-fuel devices: a multiscale computational approach
In the current global context, there is a pressing need to address sustainable energy supplies to safeguard our Planet and its ecosystems. The choices made by human society have a significant impact on genetic evolution and climate.
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Medical Delta AI for Computational Life Sciences
The fact that scientists are increasingly better able to access molecular cell and tissue data also brings with it a new challenge: how can scientists find the information they need for research among the vast amount of data available?
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Bruno Munari and the invention of modern graphic design in Italy, 1928-1945
Bruno Munari (1907–1998) was a prolific and influential artist, designer, and writer. Alessandro Colizzi’s study is the first extensive, detailed record of Munari’s graphic design production, and as such provides a substantial base for a full understanding of his oeuvre.
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The role of zebrafish (Danio rerio) larvae in developing new drug candidates for treating anxiety, from natural sources
Can zebrafish larvae be used as a behavioural model for screening natural products as potential neurotropic drugs?
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A piece of the Universe in the computer
Simulations of galaxies help researchers understand astronomical observations better. The EAGLE simulation, a large project in which Leiden astronomers play a leading role, shows the evolution of the Universe, from just after the Big Bang to the present day.
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Quantum computation with Majorana zero modes in superconducting circuits
Promotor: C.W.J. Beenakker, Co-Promotor: A.R. Akhmerov
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Non-Abelian metamaterials: emergent computing and memory
In the traditional theory of linear elasticity, superposition dictates that the response of a material does not depend on the sequence of the applied mechanical actuations.
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Image-based phenotypic screening for breast cancer metastasis drug target discovery
The main aim of this thesis was to unravel the signaling and regulatory networks that drive tumor cell migration during breast cancer metastasis.
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Rationally designed peptide based functional biomaterials
Promoter: J.G.E.M.Fraaije, Co-promotor: A. Kros
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Computational modeling of mycobacterium infection and innate immune reponse in zebrafish
Promotor: Prof.dr. J.N. Kok
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The hunt for selective drugs
How do you ensure that a drug has an effect on the right protein – and nothing else? Chemist Anthe Janssen explored various methods for determining the selectivity of potential medicines. He also looked at the substance BIA 10-2474, after a man died in a French clinical trial in 2016. PhD defence on…
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Alexander Kros
Science
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Computational optimisation of optical projection tomography for 3D image analysis
Optical projection tomography (OPT) is a tomographic 3D imaging technique used for specimens in the millimetre scale.
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Shielding software systems: A comparison of security by design and privacy by design based on a systematic literature review
The authors systematically search and review relevant definitions of Security by Design (SbD) in comparison with Privacy by Design (PbD).
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Cyber Security by Integrated Design (C-SIDe)
C-SIDe project involves a broad selection of associates in solving cybersecurity problems. Security of software systems has emerged as a critical need in our interconnected society. Companies developing software products look for Security-by-Design approaches accommodating security into their software…
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Towards High Performance and Efficient Brain Computer Interface Character Speller: Convolutional Neural Network based Methods
A P300-based Brain Computer Interface character speller, also known as P300 speller, has been an important communication pathway, under extensive research, for people who lose motor ability, such as patients with Amyotrophic Lateral Sclerosis or spinal-cord injury because a P300 speller allows human-beings…
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Multiple Paths. Towards a Performance Practice in Computer Music
This thesis proposes multiple paths towards the development of a performance practice in Computer Music.
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Maarten Aalbers presented at the ESTAL Conference “State aid control: where law and economics meet”
On 6 October 2018 Maarten Aalbers presented the first findings of a research paper, he is currently co - writing with Dr. Ben Van Rompuy, at the Vrije Universiteit in Brussels.
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Computer scientists from Leiden and Eindhoven optimise building designs
The design process of new buildings is extremely complex due to strict requirements. Computer models are used to create the designs. Scientists from LIACS developed advanced algorithms that help their colleagues at Eindhoven University of Technology to optimise these models.
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Holger Hoos
Science
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Stephan Raaijmakers
Faculty of Humanities
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Computational modeling of tumor growth and metastasis and the role of the immune system in tumor destruction
In this project, we aim to obtain a quantitative understanding of the role of the immune system in tumor regression, of the role of tumor cell heterogeneity in cancer growth and of tumor cell migration properties.
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Fuzzy systems and unsupervised computing: exploration of applications in biology
In this thesis we will explore the use of fuzzy systems theory for applications in bioinformatics.
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Alan Kai Hassen
Science
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Lettie Dorst
Faculty of Humanities
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Eleftheria Makri
Science
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Kristian Rietveld
Science
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Evaluation of Different Design Space Description Methods for Analysing Combustion Engine Operation Limits
Promotor: Prof.dr. T.H.W. Bäck
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The Modern Arabic Book: Design as Agent of Cultural Progress
Huda Abi-Fares defended her thesis on 10 January 2017.
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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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Design and synthesis of metal-based chemotherapeutic agents for targeted DNA interactions or DNA repair pathway modulation
The research presented in this thesis explores the chemotherapeutic potential of metal-based compounds as chemotherapy agents, with an initial focus on the synthesis and DNA interaction studies of platinum and palladium compounds utilizing the [Pt(bapbpy)]2+ scaffold. The study identifies intercalation…
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Curriculum Perspective Perceptions within Higher Design and Engineering Curriculum Innovation
Higher design and engineering educators have different views on what a new or renewed curriculum should entail, content-wise as well as pedagogically. This research aims to describe how these ‘curriculum perspective perceptions’ influence working definitions, end goal formulation, and the scope of results…
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Den Ouden and Van den Brink keynote speaker on state aid in Augsburg
On Friday 23 November 2018 Professor W. (Willemien) den Ouden and Professor J.E. (Jacobine) van den Brink acted as keynote speakers at a conference entitled Private Enforcement of European Competition and State Aid Law: Current challenges and the way forward.
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Chemical tools to study the cannabinoid receptor type 2
The cannabinoid receptor type 2 (CB2R) is associated with several inflammatory diseases with an unmet medical need (e.g. Alzheimers, multiple sclerosis, reumatoid arthritis). Development of new chemical biology strategies to study this protein is essential to aid future development of drugs for these…
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Multi-objective mixed-integer evolutionary algorithms for building spatial design
Multi-objective evolutionary computation aims to find high quality (Pareto optimal) solutions that represent the trade-off between multiple objectives.
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Taking control of charge transfer: strategic design for solar cells
Promotor: Huub J.M. de Groot, Co-promotor: Francesco Buda
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Iminosugars as glucosylceramide processing enzymes inhibitors: design, synthesis and evaluation
This Thesis describes the design, synthesis and evaluation as glycoprocessing enzyme inhibitors of focused libraries of iminosugars.
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Unravelling the complexity of HIV/AIDS
Dr. Josien de Klerk, Associate professor in Global Public Health at Leiden University College The Hague recently published some of her work on HIV/AIDS. In collaboration with a team of interdisciplinary researchers from the Amsterdam Institute for Global Health and Development she came to the conclusion…
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Inverse design of curvature-sensing antiviral peptides
Viral diseases constitute one of the major challenges in modern medicine. Membrane-targeting have broad-spectrum potential and could distinguish viral membranes from the host cell plasma membrane by the difference in membrane curvature.
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Electoral Systems and Turnout: Evidence From a Regression Discontinuity Design
Electoral Systems and Turnout: Evidence From a Regression Discontinuity Design. In this article, published on the website SAGE research methods, authors Jaroslaw Kantorowicz and Tobias M. Hlobil discuss how a Regression Discontinuity Design can be executed.
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Nanoparticles can aid in stroke therapy
Tiny selenium particles could have a therapeutic effect on ischemic brain strokes by promoting the recovery of brain damage. Pharmacologists, including Alireza Mashaghi from the Leiden Academic Centre for Drug Research discovered that selenium nanoparticles inhibit molecular mechanisms that are responsible…
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An Online Corpus of UML design models: Construction and empirical studies
Promotores: J. Kok, M. Chaudron (Chalmers University)
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Development of a Kidney-on-a-Chip Model for Compound Screening and Transport Studies
Pharmaceutical companies, governments and the general public have become increasingly aware that animal models used in drug testing lack vital aspects to serve as an accurate representation of human biology. As models of the human body should become more physiologically relevant, animal models no longer…
- Gender Approaches to Cybersecurity: design, defence and response
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'Time for a fundamental strategy on State aid to multinationals'
The debate on tax evasion by multinationals is in full swing in many Member States. Last week it was announced that the European Commission has started an investigation into possible illegal State aid from the Netherlands to Nike. It is likely that dozens of other companies are getting away with it.
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Drugging the undruggable: NWO Open Competition grant for Alireza Mashaghi
Finding structure in disordered proteins and developing drugs for undruggable diseases: it might sound like mission impossible, but pharmacologist Alireza Mashaghi and his team are right on top of it. Their project was awarded by NWO through the Open Competition Domain Science -XS, a competition that…
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A computational study of structural and excitonic properties of chlorosomes
The long-held desire - to link structure directly to function and to explain molecular mechanisms based on basic chemical or physical principles - is finally coming closer, satisfying not only our scientific curiosity but also offering new solutions to the many challenges in the field of health, energy…
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the pharmacokinetics and pharmacodynamics of routinely used off-label drugs in premature neonates
Currently, more than 80% of drugs are used in an off-label manner in critically ill neonates.
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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.
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scheduling of cyclo-static dataflow and its application in system-level design
Promotor: Prof.dr. E.F.A. Deprettere, Co-promoter: Todor P. Stefanov