Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Dries Van Rompaey"'
Autor:
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker, David Hahn, Laura Perez-Benito, Jonas Verhoeven, Gary Tresadern, Joerg Kurt Wegner, Hugo Ceulemans, Alexandre Tkatchenko
Publikováno v:
Scientific Data, Vol 11, Iss 1, Pp 1-14 (2024)
Abstract We here introduce the Aquamarine (AQM) dataset, an extensive quantum-mechanical (QM) dataset that contains the structural and electronic information of 59,783 low-and high-energy conformers of 1,653 molecules with a total number of atoms ran
Externí odkaz:
https://doaj.org/article/3d893d555633424da5b765b5e366cd8d
Autor:
Kenneth Verstraete, Frank Peelman, Harald Braun, Juan Lopez, Dries Van Rompaey, Ann Dansercoer, Isabel Vandenberghe, Kris Pauwels, Jan Tavernier, Bart N. Lambrecht, Hamida Hammad, Hans De Winter, Rudi Beyaert, Guy Lippens, Savvas N. Savvides
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-17 (2017)
The pro-inflammatory cytokine thymic stromal lymphopoietin (TSLP) is a promising therapeutic target. Here the authors characterize the assembly mechanism of the receptor complex driven by human TSLP, and its antagonism by the monoclonal antibody Teze
Externí odkaz:
https://doaj.org/article/acf43ca76ac74ec79666eaf28ea442d7
Publikováno v:
Molecular Pharmaceutics. 20:2436-2442
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3dc94b6ba00631c88b7a16d8d3bcf4c3
https://doi.org/10.1021/acs.molpharmaceut.2c01048
https://doi.org/10.1021/acs.molpharmaceut.2c01048
Publikováno v:
Drug Discovery Today: Technologies. :55-63
There has been a wave of generative models for molecules triggered by advances in the field of Deep Learning. These generative models are often used to optimize chemical compounds towards particular properties or a desired biological activity. The ev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14ae4487cdfb738673a0d7e05fbe02c6
https://doi.org/10.1016/j.ddtec.2020.09.003
https://doi.org/10.1016/j.ddtec.2020.09.003
Autor:
Pieter Van der Veken, Gwendolyn Vliegen, Ruth Geiss-Friedlander, Ingrid De Meester, Koen Jansen, An De Decker, Anke Peeraer, Line Verckist, Dries Van Rompaey, Anne-Marie Lambeir, Koen Augustyns, Hans De Winter, An Bracke
Publikováno v:
ACS Med Chem Lett
ACS medicinal chemistry letters
ACS medicinal chemistry letters
[Image: see text] Fibroblast activation protein (FAP) is a proline-selective serine protease. It is hardly expressed in healthy adult tissue but upregulated in tissue remodeling sites associated with several diseases including epithelial cancer types
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d228821345597060cdd871eb65c0c776
https://doi.org/10.1021/acsmedchemlett.9b00191
https://doi.org/10.1021/acsmedchemlett.9b00191
There has been a wave of generative models for molecules triggered by advances in the field of Deep Learning. These generative models are often used to optimize chemical compounds towards particular properties or a desired biological activity. The ev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6e230f0f37fdacbd82b6a463937e963
https://doi.org/10.26434/chemrxiv.12213542
https://doi.org/10.26434/chemrxiv.12213542
Autor:
Hans De Winter, Samya Van Coillie, Sam Hofmans, Pieter Van der Veken, Louis Maes, Koen Augustyns, Lars Devisscher, Tom Vanden Berghe, Kenneth Goossens, Eline Meul, Peter Vandenabeele, Dries Van Rompaey
Publikováno v:
Journal of medicinal chemistry
Ferroptosis is an iron-catalysed, non-apoptotic form of regulated necrosis that results in oxidative lipid damage in cell membranes that can be inhibited by the radical-trapping antioxidant Ferrostatin-1 (Fer-1). Novel inhibitors derived from the Fer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d09c70da6f52114dd470b1b5ebc17f8c
https://doi.org/10.1021/acs.jmedchem.8b01299
https://doi.org/10.1021/acs.jmedchem.8b01299
Autor:
Savvas N. Savvides, Koen Augustyns, Hans De Winter, Kenneth Verstraete, Dries Van Rompaey, Frank Peelman, Pieter Van der Veken
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
Scientific Reports
SCIENTIFIC REPORTS
Scientific reports
Scientific Reports
SCIENTIFIC REPORTS
Scientific reports
The pro-inflammatory cytokine thymic stromal lymphopoietin (TSLP) plays a pivotal role in the pathophysiology of various allergy disorders that are mediated by type 2 helper T cell (Th2) responses, such as asthma and atopic dermatitis. TSLP forms a t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::723eaf885bcb9972e9863527d4c25592
http://link.springer.com/article/10.1038/s41598-017-17620-7
http://link.springer.com/article/10.1038/s41598-017-17620-7
Autor:
Hans De Winter, Johannes Vrijdag, Rafaela Gladysz, Pieter Van der Veken, Anne-Marie Lambeir, Dries Van Rompaey, Koen Augustyns
Publikováno v:
Chemistry: a European journal
Target-guided synthesis (TGS) has emerged as a promising strategy in drug discovery. Although reported examples of TGS generally involve two-component reactions, there is a strong case for developing target-guided versions of three-component reaction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71c7f7defe8faa9b3f18c8ee68ed690b
https://repository.uantwerpen.be/docman/irua/fa750e/160697_2020_07_13.pdf
https://repository.uantwerpen.be/docman/irua/fa750e/160697_2020_07_13.pdf
Autor:
Pieter Meysman, Kris Laukens, Stefan Naulaerts, Dries Van Rompaey, Wim Vanden Berghe, Hans De Winter, Aida Mrzic
In recent years, the pharmaceutical industry has been confronted with rising R&D costs paired with decreasing productivity. Attrition rates for new molecules are tremendous, with a substantial number of molecules failing in an advanced stage of devel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::337a5ce4f8cab565fea78f5fd4435be6
https://doi.org/10.7287/peerj.preprints.27002v1
https://doi.org/10.7287/peerj.preprints.27002v1