2,519 search results for “computer aided drug design” in the Public website
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Gerard van Westen
Science
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Eline Dekeyster
Faculteit der Sociale Wetenschappen
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Madeline Kavanagh
Science
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NMR structural studies of protein-small molecule interactions
Promotor: M. Ubbink, Co-promotor: G. Siegal
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LIACS part of European consortium to boost industrial quantum computing
The Leiden Institute of Advanced Computer Science (LIACS) is a proud member of the NExt ApplicationS of Quantum Computing (NEASQC) consortium, which recently received an ERC H2020 grant to stimulate the state-of-the-art in industrial quantum computing. LIACS contributes research and development of new…
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Disrupting the transcriptional machinery to combat triple-negative breast cancer
Triple-negative breast cancer (TNBC) is a subtype of breast cancer characterized by limited treatment options and unfavorable clinical outcomes. Therefore, the research described in this thesis focused on the exploration of novel targeted therapies for TNBC.
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Walking as a Research Method in Art and Design
The Lectorate Design at the KABK explores the research method of walking from a design perspective, and features the working process used by public space and landscape designers Krijn Christiaansen and Cathelijne Montens (KCCM) who teach field research in BA Interior Architecture and Furniture Design…
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The quest for new medicines against tuberculosis
Can drug screening for tuberculosis treatment be made more efficient?
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'Leiden' awarded for computational intelligence
The Leiden Institute of Advanced Computer Science congratulates alumnus Pepijn van Heiningen and the with the Technische Hochschule Köln shared PhD-student Samineh Bagheri. At the SSCI 2016 conference on computational intelligence in Athens last week, both of them won an award for the high quality of…
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'Can computers judge court cases?'
Prof. Jaap van den Herik was a guest in the latest episode of the Nationale Data Podcast.
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Chemical Similarity: Structuring Risk and Hazard Assessment
At the moment, over 350.000 chemicals are registered worldwide for production and use. Their application, however, may harm human health and the environment.
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‘Computers can give linguists a push in the right direction’
For decades, linguists have racked their brains over the question of precisely how the syntax of various languages is different. PhD candidate Martin Kroon has developed a computer system that brings us closer to finding an answer. His PhD defence is on 10 November.
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A whole new (computational) world
Historical linguist Lauren Fonteyn is awarded a substantial Digital Infrastructure grant as well as being selected as member of the prestigious Young Academy Leiden (YAL).
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Dirk Bouwmeester
Science
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Surendra Balraadjsing
Science
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To explore the drug space smarter: Artificial intelligence in drug design for G protein-coupled receptors
PhD defence
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High throughput microscopy of mechanism-based reporters in druginduced liver injury
Promotor: B. van de Water
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Sensing Transport
Solute carrier (SLC) transporters are a large and diverse class of relatively understudied transmembrane proteins.
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New resource for the modelling community
The Repository from the Drug Disease Model Resources (DDMoRe) consortium provides a home to a collection of computational models of disease and drug action that have been used in pharmaceutical and/or academic research. This publically available open-access resource will make it easier for researchers…
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Hit Discovery
The goal of hit discovery is to identify suitable chemical starting points to modulate a drug target. A hit can be, a.o., a small molecule, a protein or mRNA. Hit identification is performed via rational design, genome mining, (targeted) library screening, or in silico approaches.
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Review paper on the potential impact drug-metabolizing enzymes on brain exposure
PhD candidate Mengxu Zhang (Division of Systems Pharmacology and Pharmacy) published a comprehensive and important review on “The potential impact of CYP and UGT drug-metabolizing enzymes on brain target site drug exposure” in Drug Metabolism Reviews.
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Leiden University hosts world championship computer chess
At the annual World Computer Chess Championship, chess computers from all over the world compete with each other. This year, Leiden University hosted the event.
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Translation Beauty and Joy of Computing may convince girls to choose computer science
Programming courses are often only available in English. All the more reason for the Programming Education Research Lab (PERL) of the Leiden Institute of Advanced Computer Science (LIACS), Eindhoven University of Technology and University of Twente to translate the 'Beauty and Joy of Computing' programming…
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New in Leiden: Computer science and economics
In a survey held last year by the publication Elsevier, Leiden's Computer Science programme was voted by students as the best university programme of its kind in the Netherlands. And the Rotterdam Economics programme was voted the best in its field. Leiden University now offers a combined study based…
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The power of one qubit in quantum simulation algorithms
Quantum computing is an emerging technology, which holds the potential to simulate complex quantum systems beyond the reach of classical numerical methods.Despite recent formidable advancements in quantum hardware, constructing a quantum computer capable of performing useful calculations remains challenging.In…
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Marieke Liem in The Economist on drug-related murders in Europe
Marieke Liem, professor at ISGA, discusses how the number of drug-related murders has not decreased in the last years
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Distinguished Member of the ACM for outstanding contributions to computing
On November 8, the Association for Computing Machinery (ACM) named Wessel Kraaij as one of the 2017 Distinguished Members. ACM Distinguished Members have made a significant contribution to the field of computing, computer science or information technology. This year, worldwide 43 scientists received…
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Design Competition: Schouwburgstraat Community Garden
The Green Office wants to help start a community garden in the open patio space of the Schouwburgstraat buiding in the Hague.
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Consortium puts Quantum Computer in the cloud
The quantum computer is on its way, but is society ready for it? Quantum computers have a reputation of being difficult to grasp because of their complexity. This limits society’s ability to envision future applications creating a gap between society and quantum computers. A consortium of 14 knowledge…
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Growth Fund invests many millions in faster and more sustainable (cancer) drug development
On 14 April, the National Growth Fund awarded million euros in grants to two consortia in which Leiden's science faculty is involved. Pharma-NL will receive 80 million euros and Oncode-PACT 325 million euros. Pharma-NL wants to make medicines available to the patient faster and more sustainably. Oncode-PACT…
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Arabic book design: slow progression
Since the end of the nineteenth century Arabic book designers have influenced the social and cultural situation in the Middle East with their work. Huda Smitshuijzen Abi-Farès has written the first global overview of this neglected field of science. PhD defence 10 January.
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laude physicist Tom O’Brien to research quantum chemistry by quantum computers
With defending his thesis ‘Applications of topology to Weyl semimetals and quantum computing’, the Leiden theoretical physicist Tom O'Brien has gained the rare 'cum laude' qualification. The freshly minted PhD has started a five year research programme on quantum algorithms for quantum chemistry, funded…
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Towards affective computing that works for everyone
Tessa Verhoef from the Leiden Institute of Advanced Computer Science and Eduard Fosch-Villaronga from eLaw- Center for Law and Digital Technologies have written an article on how affective computing should be inclusive, diverse, and work for everyone.
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The role of glomerular filtration and active tubular secretion in predicting renal clearance in children using population pharmacokinetic and
In this thesis population pharmacokinetic and physiologically-based pharmacokinetic (PBPK) approaches were applied to investigate the influence of glomerular filtration (GF) and active tubular secretion (ATS) on renal clearance in children.
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Uncovering vulnerabilities in triple-negative breast cancer
Triple-negative breast cancer (TNBC) constitutes a small subtype (~15%) of breast cancer, but causes the majority of breast cancer-related deaths.
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Spiking Neural P Systems
Promotor: J.N. Kok, Co-promotor: H.J. Hoogeboom
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Alumnus Robert Ietswaart: ‘Machine learning is revolutionising drug discovery’
Robert Ietswaart does research into gene regulation at the famous Harvard Medical School in Boston. He developed an algorithm to better predict whether a candidate medicine is going to produce side effects. He studied mathematics and physics in Leiden, and gained his PhD in computational biology in…
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Michael Lew explores how computers can see
Learning how computers can process and describe images just like human beings do. It is one of the key elements of the research of Michael Lew, who sees Deep Learning as a promising way to achieve this goal. On the 1st of January 2021, he was appointed Professor of Deep Learning at the Leiden Institute…
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Drugs with fewer side effects through a collaboration between LACDR and PTS
LACDR, the Leiden Institute for Drug Research, developed better tolerated excipients to prevent adverse effects related to the surface of nanosized drugs such as vaccines. LADCR professor of Biopharmacy Matthias Barz and Polypeptide Therapeutic Solutions (PTS) are collaborating to develop processes…
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Joni Reef
Faculteit Rechtsgeleerdheid
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University provides computer lessons for refugees
Computer skills are essential if you want to become part of Dutch society. Leiden University and Stichting Bestaanskracht, an organisation that helps the vulnerable, are therefore providing computer lessons for refugees who can use some extra digital help.
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Rob van Wijk discusses the role of zebrafish in drug discovery
Rob van Wijk gave an interview on the role of zebrafish in drug discovery and development, published in FIGON’s journal Medicines as a preview of LACDR’s representation at the PhD competition during the Dutch Medicines Days (DMD). The entire interview can be read below.
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Evolutionary molecular dynamics
This thesis introduces the concept of
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Ecosia now available at Leiden University computers
LUGO has some news: If you are using a public computer from Leiden University, you can now set your default search engine to Ecosia.
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Fighting cancer with light (and a drug that self-assembles into nanoparticles)
Chemotherapy that does not harm the body, but effectively fights cancer cells: that is the goal of chemist Sylvestre Bonnet and his team. During his PhD research, chemist Xuequan Zhou brought that goal a little closer. He developed molecules that, upon injection in the bloodstream, self-assemble into…
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History
Life Sciences Artificial Intelligence Data Science
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Using AI to Combat Drug Resistance - an Interview with PhD student Rosan Kuin
Rosan Kuin started her PhD in July at the LACDR under supervision of prof. Gerard van Westen and Dr. Meindert Lamers. She completed a BSc. in Pharmaceutical Sciences at the VU University in Amsterdam in 2017. After that she started two master programs, Drug Discovery & Safety with a specialization in…
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European grant to advance self-learning capabilities of quantum computers
A major grant for research into machine learning algorithms for quantum computers. With this ERC Consolidator grant, Vedran Dunjko and his colleagues hope to discover which real-world problems a quantum computer can solve faster than a normal one.
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Carole Tiberius appointed professor of Computational Linguistics: 'If you know how systems work, you can better assess their limitations'
ChatGPT, translation machines and bots: for Carole Tiberius, they are a piece of cake. On 1 January, she was appointed professor of Computational Linguistics. 'There ae two elements to the field: computer science and linguistics.'
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Shell works with Leiden and VU researchers on quantum computer algorithms for chemistry
Shell cooperates with theoretical physicists and chemists of Leiden University to research how quantum computer algorithms can help simulate complex molecules.