1,972 search results for “computer aided drug design” in the Public website
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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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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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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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Evani Lachmansingh
Science
e.t.lachmansingh@liacs.leidenuniv.nl | +31 71 527 2727
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Alexander Kros
Science
a.kros@chem.leidenuniv.nl | +31 71 527 4234
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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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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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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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Alan Kai Hassen
Science
a.k.hassen@liacs.leidenuniv.nl | +31 71 527 4799
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Rationally designed peptide based functional biomaterials
Promoter: J.G.E.M.Fraaije, Co-promotor: A. Kros
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Holger Hoos
Science
h.h.hoos@liacs.leidenuniv.nl | +31 71 527 5777
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Stephan Raaijmakers
Faculty of Humanities
s.a.raaijmakers@hum.leidenuniv.nl | +31 71 527 2727
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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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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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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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Eleftheria Makri
Science
e.makri@liacs.leidenuniv.nl | +31 71 527 2727
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Kristian Rietveld
Science
k.f.d.rietveld@liacs.leidenuniv.nl | +31 71 527 7038
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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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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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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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PhD Position: Computational Modeling of Auger Capture Rates
Science, Leiden Institute of Chemistry (LIC)
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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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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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The Modern Arabic Book: Design as Agent of Cultural Progress
Huda Abi-Fares defended her thesis on 10 January 2017.
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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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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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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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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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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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Taking control of charge transfer: strategic design for solar cells
Promotor: Huub J.M. de Groot, Co-promotor: Francesco Buda
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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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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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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…
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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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'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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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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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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An Online Corpus of UML design models: Construction and empirical studies
Promotores: J. Kok, M. Chaudron (Chalmers University)
- Gender Approaches to Cybersecurity: design, defence and response
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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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Bart Lenselink will represent LACDR at the FIGON Dutch Medicines Days
Drs. Bart Lenselink won the oral presentation at the LACDR Spring Symposium with his presentation “Predicting Drug Potency”.
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Focus on kinetics for better drug development
Potential drugs that seem promising in the lab, but don’t show any activity in a person: they cost the industry an incredible amount of time and money. That’s why Indira Nederpelt focuses on a more efficient search for new drugs in her PhD, by determining the kinetics of a potential drug earlier on…
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Peter Bouwman
Science
r.j.p.bouwman@lacdr.leidenuniv.nl | +31 71 527 6105
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A pharmacognostic study of Vernonia guineensis Benth. (Asteraceae): bioactivity, safety, and phytochemical analysis
Promotor: Prof.dr. R. Verpoorte, , Co-Promotor: Young Hae Choi
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Computational aspects of class group actions and applications to post-quantum cryptography
Most of current public-key cryptography is considered insecure against attacks from sufficiently powerful quantum computers. Post-quantum cryptography studies methods to secure information resistant against such attacks. One proposal is isogeny-based cryptography, which bases its security on computational…
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Computational approaches to dissociative chemisorption on metals: towards chemical accuracy
We review the state-of-the-art in the theory of dissociative chemisorption (DC) of small gas phase molecules on metal surfaces, which is important to modeling heterogeneous catalysis for practical reasons, and for achieving an understanding of the wealth of experimental information that exists for this…