Zobrazeno 1 - 10 of 16 pro vyhledávání: '"Laura Perez-Benito"'
1
Akademický článek
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules
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
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2
Akademický článek
Structural basis for the oligomerization-facilitated NLRP3 activation
Autor: Xiaodi Yu, Rosalie E. Matico, Robyn Miller, Dhruv Chauhan, Bertrand Van Schoubroeck, Karolien Grauwen, Javier Suarez, Beth Pietrak, Nandan Haloi, Yanting Yin, Gary John Tresadern, Laura Perez-Benito, Erik Lindahl, Astrid Bottelbergs, Daniel Oehlrich, Nina Van Opdenbosch, Sujata Sharma
Publikováno v: Nature Communications, Vol 15, Iss 1, Pp 1-13 (2024)
Abstract The NACHT-, leucine-rich-repeat-, and pyrin domain-containing protein 3 (NLRP3) is a critical intracellular inflammasome sensor and an important clinical target against inflammation-driven human diseases. Recent studies have elucidated its t
Externí odkaz: https://doaj.org/article/7f229443efb44bc9b6f041484b3699ef
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3
Akademický článek
Reduction of stress responses in honey bees by synthetic ligands targeting an allatostatin receptor
Autor: Adrià Sánchez-Morales, Véronique Gigoux, Minos-Timotheos Matsoukas, Laura Perez-Benito, Daniel Fourmy, Ramón Alibes, Félix Busqué, Arnau Cordomí, Jean-Marc Devaud
Publikováno v: Scientific Reports, Vol 12, Iss 1, Pp 1-14 (2022)
Abstract Honey bees are of great economic and ecological importance, but are facing multiple stressors that can jeopardize their pollination efficiency and survival. Therefore, understanding the physiological bases of their stress response may help d
Externí odkaz: https://doaj.org/article/5ff99a956aef4b80a9f931d76725ad60
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4
Akademický článek
Modeling the β-secretase cleavage site and humanizing amyloid-beta precursor protein in rat and mouse to study Alzheimer’s disease
Autor: Lutgarde Serneels, Dries T’Syen, Laura Perez-Benito, Tom Theys, Matthew G. Holt, Bart De Strooper
Publikováno v: Molecular Neurodegeneration, Vol 15, Iss 1, Pp 1-11 (2020)
Abstract Background Three amino acid differences between rodent and human APP affect medically important features, including β-secretase cleavage of APP and Aβ peptide aggregation (De Strooper et al., EMBO J 14:4932-38, 1995; Ueno et al., Biochemis
Externí odkaz: https://doaj.org/article/e108c7bd5bc84cf6bf669c4ca6a637f0
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5
Selective inhibitors of the PSEN1-gamma-secretase complex
Autor: Lutgarde Serneels, Rajeshwar Narlawar, Laura Perez Benito, Marti Municoy, Victor Guallar, Dries T’Syen, Maarten Dewilde, François Bischoff, Erwin Fraiponts, Gary Tresadern, Peter W.M. Roevens, Harrie J.M. Gijsen, Bart De Strooper
Clinical development of γ-secretases, a family of intramembrane cleaving proteases, as therapeutic targets for a variety of disorders including cancer and Alzheimer's disease was aborted because of serious mechanism-based side effects in the phase I
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34173e9b72a677f8f8c9ec51792ad684
https://lirias.kuleuven.be/handle/20.500.12942/719766
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7
Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery
Autor: Kelly L, Damm-Ganamet, Renee L, DesJarlais, Tami, Marrone, Amy Y, Shih, Jamie M, Schiffer, Laura, Perez-Benito, Taraneh, Mirzadegan
Publikováno v: Journal of medicinal chemistry. 63(5)
The topic of gender equality within the United States workforce is receiving a great deal of attention. The field of chemistry is no exception and is increasingly focused on taking steps to achieve gender diversity within the chemistry workforce. Ove
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::ba5fad6079a446aa32eea26fe7bfe24c
https://pubmed.ncbi.nlm.nih.gov/31913036
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10
Akademický článek
Reduction of stress responses in honey bees by synthetic ligands targeting an allatostatin receptor.
Autor: Sánchez-Morales, Adrià1 (AUTHOR), Gigoux, Véronique2 (AUTHOR), Matsoukas, Minos-Timotheos3 (AUTHOR), Perez-Benito, Laura3,4 (AUTHOR), Fourmy, Daniel2 (AUTHOR), Alibes, Ramón1 (AUTHOR), Busqué, Félix1 (AUTHOR) Felix.Busque@uab.cat, Cordomí, Arnau3,5 (AUTHOR) arnau.cordoni@esci.upf.edu, Devaud, Jean-Marc6 (AUTHOR) jean-marc.devaud@univ-tlse3.fr
Publikováno v: Scientific Reports. 10/6/2022, Vol. 12 Issue 1, p1-14. 14p.
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