2,526 search results for “computer aided drug design” in the Public website
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Big Data in development and humanitarian aid: next step in privacy debate
How can ‘Big Data’ be used in development and humanitarian aid, and what are the risks? Leiden University and the United Nation’s Global Pulse are organising an international expert meeting in The Hague on 23 October.
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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
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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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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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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…
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Nonparametric Bayes for high-dimensional models: contraction, credible sets, computations
Nonparametric Bayes for high-dimensional models: contraction, credible sets, computations
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Rethinking drug discovery: Vidi grant for Laura Heitman
Laura Heitman has been awarded a VIDI grant for her innovative drug research. Heitman strives to optimize a drug’s binding kinetics at its target in order to ultimately fight diseases effectively. She even pleads for a paradigm shift in drug discovery.
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Peter Bouwman
Science
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Smart Industrial Parks in China: towards Joint Design and Institutionalization
How to contribute to a quantum leap of eco-industrial symbiosis in China?
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Agnes Schneider
Faculteit Archeologie
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Fan Zhang
Science
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Various media on drug research Mario van der Stelt
Media in the Netherlands and abroad reported extensively about the drug research led by Leiden chemist Mario van der Stelt. In this research, Van der Stelt shows which unwanted side-effects a French drug candidate has.
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New potential drug suppresses chemotherapy induced neuropathic pain
Oncode Investigator Mario van der Stelt and his colleagues have discovered a new potential drug that suppresses chemotherapy induced neuropathic pain.
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NIAS grant for research on ‘War on Drugs’
His article on ‘the War on Drugs’ in Colombia and the Philippines has been in the top five most downloaded articles of Oxford University Press for some time. Now, Assistant Professor Santino Regilme is to receive a NIAS grant to map out the global war on drugs.
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Abolfazl Sajadi
Science
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Postdoc Automated Reasoning in Quantum Computing (0.8-1.0 FTE)
Science, Leiden Institute of Advanced Computer Science (LIACS)
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The use of computational toxicology in hazard assessment of engineered nanomaterials
Assessing the risks of engineered nanomaterials (ENMs) solely on the basis of experimental assays is time-consuming, resource intensive, and constrained by ethical considerations (such as the principles of the 3Rs of animal testing). The adoption of computational toxicology in this field is a high p…
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Breaking the witches' spell: towards steering the soil microbiome for volatile-mediated control of the root parasitic weed Striga
Striga hermonthica, commonly known as witchweed, infests major cereal crops in Sub-Saharan Africa causing severe yield losses and threatening the livelihood of millions of resource poor farmers.
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Fast vaccine design and development based on correlates of protection (COPs) Influenza as a trendsetter
New and reemerging infectious diseases call for innovative and efficient control strategies of which fast vaccine design and development represent an important element.
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How do children's kidneys eliminate drugs?
What dose of medicine do you give a child? That depends to a large extent on how quickly their kidneys remove the drug from the blood. For ethical reasons it is impossible to measure this directly in little patients. PhD candidate Sinziana Cristea combined different types of modelling and lots of data…
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Handbook of Natural Computing
Natural Computing is the field of research that investigates both human-designed computing inspired by nature and computing taking place in nature, i.e., it investigates models and computational techniques inspired by nature and also it investigates phenomena taking place in nature in terms of information…
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Design of dissolvable microneedles for intradermal TB vaccination
Tuberculosis is an infectious disease which is spreaded through the air. It is caused by Mycobacterium tuberculosis and it led 1.7 million people to death in 2016. This mortarlity rate is concentrated in developing countries such as Indonesia, Philippines, Pakistan, and South Africa. These numbers make…
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Giulia Callegaro
Science
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Observing what cannot be observed: computational electrochemistry from carbon to hydrogen
In this thesis, we consider various (electro)chemical phenomena at surfaces and nanoparticles and their underlying atomistic processes, which we studied using first-principles methods such as density functional theory.
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Synthetic, Physical and Computational Chemistry of Propeller-shaped Polycyclic Aromatic Hydrocarbons
This thesis systematically studies the physicochemical properties of non-planar, propeller-shaped, polycyclic aromatic hydrocarbons. The synthesis of several so-called propellerenes is described on a gram scale, using optimized procedures aimed at using less hazardous reagents and reducing the amount…
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New technique offers chemists unprecedented control in drug research
Leiden chemists have developed a new technique with which they can determine the role of kinases – a group of proteins – in a living cell. This technique makes it easier to find new drug targets for diseases such as cancer and rheumatoid arthritis. The team published the findings in the journal Nature…
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Figuring Things Out Together: On the Relationship Between Design and Collective Practice
Anja Groten investigates matters of collectivity, drawing from the experience of working with the Amsterdam-based collective Hackers & Designers (H&D)*.
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Narrative Navigation: HIV and (Good) Care in Aceh, Indonesia
In this article, Samuels elaborates the concept of narrative navigation to analyze the subjective and intersubjective ways in which people struggle through experiences of illness by constructing multiple, ambiguous and non-linear narratives that may continuously change, as they reposition themselves…
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Figuring Things Out Together. On the Relationship Between Design and Collective Practice.
This dissertation explores matters of collectivity, drawing from the experience of working with the Amsterdam-based collective Hackers & Designers (H&D).
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Maarten Aalbers presented during the “State Aid Compliance Seminar” in The Hague
On 10 May Maarten Aalbers, PhD-fellow and research staff member at the Europa Institute, participated in the “State Aid Compliance Seminar”, hosted by Europa decentraal, the EU law center for local and regional authorities in the Netherlands. Maarten Aalbers presented on the interaction between EU competition…
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Teachers’ practical knowledge and lesson design in the context of innovation
This project is situated within the context of an innovation of the biology curriculum in Dutch secondary schools. The main purposes are (1) to clarify the relation between teachers’ practical knowledge and the decisions they make when planning and implementing their lessons and (2) to develop a professional…
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Collaborative learning in higher education: design, implementation and evaluation of group learning activities
The aim of this study was to provide insight into how teachers in higher education can be supported in the design, implementation and evaluation of group assignments by developing a theoretical and evidence-based framework for the design of group assignments.
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Chemical Biology
Chemical biology research at the Leiden Institute of Chemistry is aimed at understanding biological processes at the molecular level to strengthen the knowledge base of human health and disease. The approach to achieve this goal is a fundamental chemical one; with the aid of chemical probes biological…
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Towards relevant quantum computers
Can we use quantum computers in a way that is also relevant to society? With the help of a 2-million-euro NWA grant, Leiden University will work with partners such as Surf, Google and Volkswagen to demonstrate that quantum computers are also of value outside the lab.
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Learning-based Representations of High-dimensional CAE Models for Automotive Design Optimization
In design optimization problems, engineers typically handcraft design representations based on personal expertise, which leaves a fingerprint of the user experience in the optimization data. Thus, learning this notion of experience as transferrable design features has potential to improve the performance…
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Ben van Werkhoven
Science
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Latest hardware for computer research on medical imaging
The LIACS Media Lab has received a research grant from the worldwide leading graphics hardware company NVIDIA. The grant exists of newly developed hardware utilizing thousands of processors. LIACS researchers will use it to investigate deep learning in understanding imagery from sources such as MRI…
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Drug Delivery to the Brain
This book describes the different approaches for drug delivery to the brain with an emphasis on the physiology of the blood-brain barrier (BBB) and the governing principles and concepts for drug delivery across the BBB
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Simona Demková speaks at 2024 Computers, Privacy and Data Protection (CPDP) Conference
The 2024 Computers, Privacy and Data Protection (CPDP) Conference taking place in Brussels between 22 and 24 May featured a presentation from Simona Demková from Leiden University's Europa Institute. Dr Demokvá participated in a panel discussion on the intricate balance between innovation and fundamental…
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How astronomy aids progress in Africa
Astronomy can help address the problems of South Africa, while benefiting other African countries at the same time. This was the message of Naledi Pandor, South African Minister of Science and Technology, on 26 February in the Academy Building.
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Evidence integration for coherent nexus policy design: a Mediterranean perspective on managing water-energy interactions
In order to analyze the challenges linked to data use in the context of nexus governance, Giest & Mukherjee use a policy design lens and more specifically the perspective of organizational policy instruments to look at the Mediterranean region.
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Schuurmans appointed Chair of Legal Aid Board’s Advisory Council
Ymre Schuurmans, Professor of Constitutional and Administrative Law, has been appointed Chair of the Dutch Legal Aid Board’s Advisory Council following permission from the Dutch Minister for Legal Protection.
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Design, synthesis and application of paramagnetic probes for protein structure studies
The main subject of this thesis is the design and synthesis of paramagnetic molecules for protein studies with NMR and EPR spectroscopy.
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Research Design in Political Science: The new book by Dimiter Toshkov is now out
The new book by Dimiter Toshkov - associate professor of Public Administration at the Faculty of Governance and Global Affairs - has been recently published by Palgrave Macmillan.
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Design and development of conformational inhibitors and activity-based probes for retaining glycosidases
Glycosidases are essential in fundamental biological processes and are responsible for the degradation of most (oligo)saccharides, glycolipids and glycoproteins.
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Major Expansion Leiden Quantum Computing
The 18.8 million euro NWO Zwaartekracht grant for quantum software which Amsterdam, Delft and Leiden landed collectively, means for Leiden University among others the appointment of two new permanent scientific staff members, who will each form their own research group, divided among Computer Science,…
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Design, synthesis, and evaluation of antigenic peptide conjugates containing Toll-like receptor agonists
This thesis describes the design, synthesis, and immunological evaluation of varying (neo)antigenic peptide conjugates containing either a TLR2 or a TLR7 agonist.
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Computational, biochemical, and NMR-driven structural studies on histone variant H2A.B
Nature uses a special class of histone proteins, histone variants, to modulate the properties of chromatin at defined genomic locations.
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Light on the quantum computer
Physicist Martin van Exter works with light at nanoscale, at the forefront of nanocomputer research. But as Director of Education he also has a vision for physics teaching. Inaugural lecture 18 November.