1,973 search results for “computer aided drug design” in the Public website
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Discovery of metastasis promoting candidate drug targets
Discovery of metastasis promoting candidate drug targets
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Humanitarian Operations: Preparedness and Response to Cyber Crises in Aid Delivery
How do humanitarian organisations adapt cyber incidents to their specific priorities and needs, and how can they adapt strategies of other organisations?
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Design and application of dextran based cross-linked networks
This thesis describes the design, characterization and application of dextran based crosslinked network.
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The quantum computer
The worldwide race to the quantum computer is in full swing. This computer can take on computing tasks that we can only dream of today, such as finding proteins that can be used as medicines in seconds flat. Leiden physicists have discovered how the Majorana particle can be used as a building block…
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LED3 Lecture: Proteomics in Drug Discovery
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LED3 Lecture: Data Science in Drug Discovery
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LED3 Lecture: Chemical Biology for Drug Discovery
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LED3 Lecture: Synthetic Biology for Drug Discovery
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Image-based Computational Biology
In this research group, led by Dr. Joost Beltman, the aim is to employ mathematical and computational dynamical modelling approaches in order to quantitatively and mechanistically understand the dynamical behaviour and regulation of intracellular networks of genes, proteins and metabolites as well as…
- Centre for Computational Life Sciences (CCLS)
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Computational linguistics
Computational linguistics uses computational methods to help answer linguistics questions across a variety of topics.
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Computer programming
We see computer programming as an essential skill. It enables you to be self-sufficient in building tools, processing data, visualizing research output, communicating research results, etc. Moreover, it empowers you to make beautiful things.
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Natural computing
Research in the natural computing group covers theoretical foundations, the development of new algorithms, and interdisciplinary applications of natural computing methods.
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Natural Computing
Research in the natural computing cluster covers theoretical foundations, the development of new algorithms, and interdisciplinary applications of natural computing methods.
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Computational Linguistics
In this theme you will be supplied with a firm background in the core of current computational linguistics and a solid comprehension of its neighboring fields.
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Computational electrocatalysis
This dissertation focused on computational methods based on first principles calculations using the Density Functional Theory (DFT) framework. Emphasis was laid on affordable methods that can provide a tradeoff between computational expense and accuracy.
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Computer Science
Computational thinking, programming, and algorithms form the basic of many of the things that are shaping our world, the way we work, interact, organize ourselves, and even spend our free time with social networks, streaming media, and games. And this transformation is far from being complete, it is…
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and flow of data: connecting large datasets with machine learning in a drug discovery envirionment
This thesis focuses on data found in the field of computational drug discovery. New insight can be obtained by applying machine learning in various ways and in a variety of domains. Two studies delved into the application of proteochemometrics (PCM), a machine learning technique that can be used to…
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Computer Science
Are you thinking about studying Computer Science? Learn more and watch the videos. Note: As of September 2025 you can also combine this master programme with the Business Studies specialisation.
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Pedagogies of Prohibition: Time, Education, and the War on Drugs in Rio de Janeiro’s Zona Norte
Benjamin Fogarty-Valenzuela published the article 'Pedagogies of Prohibition: Time, Education, and the War on Drugs in Rio de Janeiro’s Zona Norte' in Cultural Anthropology 37. The article’s three sections focus on three forms of temporal control—busyness, punctuality, and rhythm—and each demonstrates…
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Computer Science
PhD candidates carry out a programme of independent research and additional (limited) course work, culminating in production of a PhD thesis in typically 4 years.
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Aid Imperium: United States Foreign Policy and Human Rights in Post-Cold War Southeast Asia
Does foreign aid promote human rights?
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Pharmacogenomics in drug development: implementation and application of PKPD model based approaches
Promotor: Prof.dr. M. Danhof, Co-Promotor: J. de Jongh
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Computational facilities
Beowulf clusters looking for new frontiers.
- Leiden Academic Centre for Drug Research
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Optimization of quantum algorithms for near-term quantum computers
This thesis covers several aspects of quantum algorithms for near-term quantum computers and its applications to quantum chemistry and material science.
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pharmacokinetics-pharmacodynamics in zebrafish: integration of experimental and computational methods
The zebrafish is a promising vertebrate model organism in early drug discovery and development.
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mRNA and drug delivery with lipid-based nanoparticles
This thesis focuses on the application of lipid-based nanomedicine in drug delivery, including small molecular antitumor drugs and biomacromolecules including mRNA, and evaluates their biological performance.
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Quan/Qual analysis of drugs and metabolites in biological matrices
Can we develop a generic method for Quan/Qual analysis of small molecule drugs, their metabolites and endogenous metabolites in (pre-)clinical samples?
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24-hour rhythms in drug exposure and effect
Although rarely considered by the pharmaceutical industry or clinicians, 24-hour rhythms in physiology are a factor of potential influence on the pharmacokinetics and pharmacodynamics of drugs.
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Leiden Institute of Advanced Computer Science
Digital technology is changing academia and society at lightning speed. LIACS is in the midst of this with groundbreaking research into data processing and artificial intelligence (AI). It conducts a unique combination of fundamental and applied research into major issues facing academia and society…
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Advances in computational methods for Quantum Field Theory calculations
In this work we describe three methods to improve the performance of Quantum Field Theory calculations.
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Spatial (3-D) CNS drug distribution in vivo
Another research line is the development of a spatial CNS drug distribution model, by ultimately including the 3-dimensional anatomical organization of the CNS.
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Why don't drugs make it to the market?
How can we extend the drug residence time to combat diseases more effectively?
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Andrea Herrera Jaramillo
Science
j.a.herrera.jaramillo@cml.leidenuniv.nl | +31 71 527 2727
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Computed fingertip touch for the instrumental control of musical sound with an excursion on the computed retinal afterimage
Promotor: Prof.dr. S. Haring
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ECOLE: Experience-based COmputation: Learning to optimisE
Researchers of the Leiden Institute of Advanced Computer Science (LIACS) will develop a training programme the next generation of early stage researchers (ESRs). During a four years project they will be trained to approach industrial challenges in a holistic manner by developing solutions in an automotive…
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Foundations of Computing (MSc)
The master's specialisation Bioinformatics at Leiden University focuses on research, development and application of computational tools and approaches for expanding the use of biological, medical, behavioral and health data.
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Computer Science (MSc)
The two-year master’s programme in Computer Science at Leiden University offers seven specialisations ranging from AI to Bioinformatics and Data Science. The programme combines excellent theoretical teaching with possibilities for applied work with industrial relevance.
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NExt ApplicationS of Quantum Computing (NEASQC)
The NEASQC project brings together academic experts and industrial end-users to investigate and develop a new breed of Quantum-enabled applications that can take advantage of NISQ (Noise Intermediate-Scale Quantum) systems in the near future. NEASQC is use-case driven, addressing practical problems…
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Towards improved drug action : target binding kinetics and functional efficacy at the mGlu2 receptor
During the course of drug discovery translational steps are made.
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Stereotyping in Computer Science
LIACS is partner in the project 'Stereotyping in Computer Science.' The project is a collaboration between multiple universities and the Dutch national expert organization on girls/women and science/technology (VHTO), which will investigate the stereotypes that children hold about computer scientist…
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Bio-inspired Computing
We investigate reaction systems, a novel computational model gleaned from the biochemical reactions taking place in living cells and information processing in nature.
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High performance computing
A high performance computer or supercomputer owes its massive processing capacity to the fact that it chops a single overarching task into a whole series of smaller tasks. It simultaneously tackles each of those smaller problems.
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Computer Science (BSc)
We are becoming ever more dependent on automation systems in our daily lives. Computer Science is more than programming; you integrate maths and logic into the development of systems and solutions that can be applied in all fields - from business to healthcare.
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Handbook of Natural Computing
Natural Computing investigates algorithms and phenonema based on nature to create better and new computer science innovations.
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The Role of Target Binding Kinetics in Drug Discovery
Source: ChemMedChem (2015)
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Antibiotic combination therapies against drug resistant Gram negative pathogens
Can effective synergists be identified to enhance the effect of antibiotics against Gram negative pathogens?
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Microengineered Human Blood Vessels For Next Generation Drug Discovery
Heart failure is a major health care problem with high mortality.
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Computational Network Science Lab
The Leiden Computational Network Science Lab (CNS Lab) researches methods for knowledge discovery from real-world network data.