2,624 search results for “computer aided drug design” in the Public website
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Clavis Aurea? Structure-enabled approaches of identifying and optimizing GPCR ligands
Promotores: A.P. IJzerman, H.W.T. van Vlijmen
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Computational Drug Discovery
Research in this group, headed by Gerard van Westen, focusses on computational methods integrated in different parts of the drug discovery process. More specifically, topics include innovative treatments for cancer, selectivity modeling, translational research, allosteric modulation, drug resistance…
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To explore the drug space smarter: Artificial intelligence in drug design for G protein-coupled receptors
Over several decades, a variety of computational methods for drug discovery have been proposed and applied in practice. With the accumulation of data and the development of machine learning methods, computational drug design methods have gradually shifted to a new paradigm, i.e. deep learning methods…
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Computational Approaches to Disease, Signaling and Drug Targets
The Minor Computational Approaches to Disease, Signaling and Drug Targets (CADSDT) is focused on fundamental scientific research required for discovery of new drug targets and development of new drugs.
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Scientific computing for Drug Discovery in Python and/or R
Data analysis with Python and R are rapidly becoming essential skills for modern scientists. Therefore, we are offering courses to develop your scientific computing skills. Those courses are optional for LACDR PhD candidates.
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Drug research
In the Drug Research theme, we primarily work with rodents. Rodents, such as mice, are one of the most common laboratory animals. These small mammals are easily housed and exhibit a rapid rate of reproduction.
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Mechanistic modelling of drug target binding kinetics as determinant of the time course of drug action in vivo
Drug-target binding kinetics determine the time course of the central event in pharmacotherapy: Drug-target interaction.
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Drug-Related Homicide in Europe
Drug-related homicide (DRH) has the potential to act as a valuable indicator of wider drug-related crime. Yet DRH remains a knowledge gap within this broader field of study.
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Finding unique drug structures with artificial intelligence and chemistry
In the search for new medicines against diseases such as cancer, a Leiden team has developed a new workflow. This approach combines artificial intelligence (AI) with molecular modelling and is suitable for finding unknown and innovative drug structures, the researchers proved.
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New handbook “EU State Aids”
The Europa Instituut is pleased to announce that on 21 November 2016 a new handbook “EU State Aids” (31 Chapters, 1500 pages) was published.
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Activity-based protein profiling in drug discovery
In the last decades, activity-based protein profiling (ABPP) has emerged as a powerful chemical tool that may aid the ever-challenging drug discovery process.
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Novel immunomodulatory drugs for tuberculosis treatment
Can drugs that target host signaling pathways be used to eradicate antibiotic-resistant bacteria?
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Novel target engagement biomarkers for better drug candidates
Is is possible to better predict the validity of drug candidates?
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Strategies for Mechanical Metamaterial Design
On a structural level, the properties featured by a majority of mechanical metamaterials can be ascribed to the finite number of soft internal degrees-of freedom allowing for low-energy deformations.
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Joost Batenburg
Science
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Modern Drug Discovery
How are new drugs developed? This question is central to the Minor Modern Drug Discovery (MDD), which covers the entire trajectory from disease to drug molecule and vice versa. The various research groups involved offer a complementary and interdisciplinary perspective by connecting the diverse subjects…
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Drug Discovery & Safety
In the research programme Drug Discovery & Safety, we are interested in the efficacy and safety of new drugs and novel means to decipher these aspects. Hence, we employ advanced imaging and high-throughput screening techniques next to computational approaches such as chem- and bioinformatics.
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Drug discovery pipeline
The drug discovery pipeline is used to describe the stages in drug discovery. The earliest stage concerns with the identification of potential targets and molecules ('hits') that can modulate their function, while more advanced stages are about developing these hits into viable experimental drugs and…
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Data-Driven Drug Discovery Network (D4N)
The Data-Driven Drug Discovery Network (D4N) is an initiative by researchers from Leiden University and collaborators to join efforts in applying and developing novel techniques from data science to drug discovery and related topics from bioinformatics.
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Drug safety Sciences
Our research in the area of safety sciences aims to increase the mechanistic understanding of cellular toxicity of drugs and, in a broader sense, chemicals.
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Cancer Drug Target Discovery
We focus on a better understanding of the mechanisms of cancer drug resistance and metastasis.
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Masullo & Morisi, The Human Costs of the War on Drugs
Citizens in multiple crime-ridden countries strongly support the militarization of security—that is, placing the military in charge of traditional policing duties. Yet, we know little about the determinants of such support. Do people approve of militarization even in the face of human fatalities? Political…
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Proteins in harmony: Tuning selectivity in early drug discovery
This thesis describes the importance of being able to control the selectivity of potential drug candidates.
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Cancer Drug Target Discovery
In this research group, headed by Prof. Erik Danen, the aim is to unravel cellular signaling mechanisms in normal and diseased cells, with a long-standing interest in cell adhesion signaling. In complex multicellular organisms such as ourselves, a division of labor emerges where different tissues and…
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Discovering and developing drugs
Improving healthcare with our scientific discoveries: that is the goal of pharmaceutical research at Leiden University. And there’s a lot involved in that. Our research starts with the discovery of the effect achieved by a particular substance, and sometimes continues all the way through to the development…
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Computational Biology
Projects within the theme ‘Computational Biology’ aim to employ mathematical or computational dynamical modelling approaches to discover novel concepts that are important for drug development.
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Dynamics of TNFalpha signaling and drug-related toxicity
In previous studies at our laboratory it was demonstrated that drug exposure of HepG2 cells can lead to an altered TNFα-induced NF-κB oscillatory phenotype, concurrent with a synergistically increased sensitivity for TNFα-induced apoptosis.
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Reverse engineering of drug induced QT(c) interval prolongation: Towards a systems pharmacology approach
Promotor: M. Danhof Co-promotor: O.E. Della Pasqua
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of general interests in EU State Aid Law: blurred lines between the prohibition and the compatibility of aid
On 5 June, Maarten Aalbers defended the thesis 'The balancing of general interests in EU State Aid Law: blurred lines between the prohibition and the compatibility of aid'. The doctoral research was supervised by Pieter van Cleynenbreugel and Stefaan van den Bogaert.
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Drug Discovery and Safety (MSc)
The master's specialisation Drug Discovery and Safety at Leiden University provides students with research-oriented education into the discovery of new drug targets and new lead molecules, particularly in the field of cancer, through a combination of advanced imaging techniques (‘systems microscopy’),…
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Unravelling cancer drug resistance mechanisms
Mechanisms fro drug resistance
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Collaborative and effective drug development
There are many complex links in the chain that provides patients with new drugs: from fundamental science, to clinical tests, to production. The entire chain can be found in Leiden. Leiden University, the Leiden University Medical Center (LUMC) and the businesses at the Leiden Bio Science Park (LBSP)…
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Cell Systems and Drug Safety
The research within the Division of Cell Systems and Drug Safety, headed by Prof. Bob van de Water, is focused on novel therapeutic modalities and novel concepts in early drug discovery, in order to develop more effective and safer therapeutic strategies. We generate advanced cell and computational…
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Leiden Early Drug Discovery & Development
Despite recent advances in medicine, many devastating disorders like cancer and cardiovascular, neurodegenerative and infectious diseases still lack effective treatments. In order to address this challenge, we, as scientists from Leiden University, joined hands in the LED3 network. LED3, for Leiden…
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Cancer Therapeutics and Drug Safety
In this research group, headed by Bob Van de Water, cell signaling programs that underlie adverse drug reactions as well as cancer development and progression are unraveled. Adverse drug reactions involve cell injury in critical target organ cells which leads to the activation of cellular stress response…
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LED3 Drug Discovery Case Studies
To get a feeling of how we operate at LED3 when it comes to Early Drug Discovery, please browse through our case studies. When you select a case study you’ll find relevant contacts.
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Translational drug discovery and development
We cover the entire spectrum from target identification to the evaluation of the efficacy and safety of novel medicines in clinical practice.
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LED3 Lecture: Covalent Drug Discovery
Lecture
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Kinetics for drug discovery – The first step towards an improved drug discovery paradigm
Supervisor: Indira Nederpelt
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Prediction of spatial-temporal brain drug distribution with a novel mathematical model
A novel mathematical model describes spatial-temporal drug distribution within one or more brain units, which are cubic representations of a piece of brain tissue with brain capillaries at the edges.
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Microneedle-based drug and vaccine delivery via nanoporous microneedle arrays
In the literature, several types of microneedles have been extensively described. However, porous microneedle arrays only received minimal attention. Hence, only little is known about drug delivery via these microneedles. However, porous microneedle arrays may have potential for future microneedle-based…
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Leiden Academic Centre for Drug Research
Drug development is a complex process in which many parties work together. Every day, the researchers at LACDR devote their energies to developing drugs that are new, better, more efficient and easier to produce. And thus to the millions of patients who know all too well why this research in Leiden…
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Computer Systems, Imagery & media
The Computer Systems, Imagery & media (CSI) research programme performs research on methods and techniques for the design, implementation and application of advanced computer systems, in particular parallel, distributed and embedded computer systems.
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Systems pharmacology-based translational drug pharmacokinetics
High-throughput holistic preclinical screens are increasingly used in drug discovery, to assess both drug efficacy and drug safety.
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Leiden Academic Centre for Drug Research
The Leiden Academic Centre for Drug Research (LACDR) is a centre of excellence for multidisciplinary research on drug discovery and development.
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Triblock polypept(o)ides for siRNA delivery: unique polymeric designs for versatile carrier systems
Utilizing the polymeric platform of polypept(o)ides, this thesis describes synthesis and investigation of novel triblock copolymers to obtain carrier systems with multiple compartments for efficient siRNA delivery. Although the individual microstructure of nanoparticles differs depending on the polymeric…
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Drug-target binding kinetics in vivo
A next, general pharmacological problem to be tackled is how drug-target binding kinetics in vivo, affects target occupancy as an important indicator of the time-course of drug effects.
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Advanced in vitro models for studying drug induced toxicity
Promotor: Prof.dr. B. van de Water, Co-promotor: L.S. Price
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Drug use and harm reduction policies
Harm reduction in practice: a comparative analysis of the Dutch and Brazilian approach towards drug users.
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Discovery of metastasis promoting candidate drug targets
Discovery of metastasis promoting candidate drug targets