16 search results for “proteochemometrics” in the Public website
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Proteochemometrics
Research question
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Proteochemometric modelling coupled to in silico target prediction
An integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.
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potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling
Source: J Cheminform, Volume 7, Issue 1 (2015)
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Gerard van WestenScience
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Transforming data into knowledge for intelligent decision-making in early drug discovery
Promotor: A.P.IJzerman Co-promotor: A. Bender
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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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Key publications
Key publications of the Computational Drug Discovery group
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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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Lindsey Burggraaff wins KNCV poster prize at the FIGON Dutch Medicine Days
Drs. Lindsey Burggraaff wins KNCV poster prize in the category
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Data Science
The ability to collect and interpret huge quantities of data has become indispensable to society and academia. Leiden University is a knowledge and expertise centre for data science that places the emphasis on interdisciplinary collaboration and innovation.
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PhD Position in the Virtual Human for Safety (VHP4Safety) Project
Science, Leiden Academic Centre for Drug Research (LACDR)
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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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Leiden Medicinal Chemistry researcher Andreas Bender receives prestigious EFMC Prize
Andreas Bender, Assistant Professor for Medicinal Chemistry in the Medicinal Chemistry Division of the Leiden / Amsterdam Center for Drug Research, received the
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Gerard van Westen appointed as full Professor of Artificial Intelligence and Medicinal Chemistry
Gerard van Westen has been appointed full Professor or Artificial Intelligence and Medicinal Chemistry. This chair has been jointly created by the Leiden Academic Centre for Drug Research (LACDR) and the Leiden Institute of Chemistry (LIC) as part of SAILS, the university stimulus program in Artificial…
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Better ligands for G Protein-Coupled Receptors
The receptor nomenclature committee of IUPHAR, the International Union of Pharmacology, has several subgroups. Among these are a few that our division is involved in, those for adenosine, nicotinic acid, and GnRH receptors.
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Publications
Here you can find our most recent research publications