Zobrazeno 1 - 10
of 6 729
pro vyhledávání: '"GERARD J. P."'
Autor:
Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet. H. van der Graaf, Gerard J. P. van Westen
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-16 (2024)
Abstract Building reliable and robust quantitative structure–property relationship (QSPR) models is a challenging task. First, the experimental data needs to be obtained, analyzed and curated. Second, the number of available methods is continuously
Externí odkaz:
https://doaj.org/article/9debc1b05a614b88bc3be65b20d3adda
Autor:
Manuel A. González Hernández, Lars Verschuren, Martien P.M. Caspers, Martine C. Morrison, Jennifer Venhorst, Jelle T. van den Berg, Beatrice Coornaert, Roeland Hanemaaijer, Gerard J. P. van Westen
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-10 (2024)
Abstract The incidence of MASLD and MASH-associated fibrosis is rapidly increasing worldwide. Drug therapy is hampered by large patient variability and partial representation of human MASH fibrosis in preclinical models. Here, we investigated the mec
Externí odkaz:
https://doaj.org/article/655a3f5a3c6143cd8f62fdeaec52efc2
Autor:
Marina Gorostiola González, Remco L. van den Broek, Thomas G. M. Braun, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-19 (2023)
Abstract Proteochemometric (PCM) modelling is a powerful computational drug discovery tool used in bioactivity prediction of potential drug candidates relying on both chemical and protein information. In PCM features are computed to describe small mo
Externí odkaz:
https://doaj.org/article/1a3bbdb4d14241b5a95862590f309cd3
Autor:
Marina Gorostiola González, Hubert J. Sijben, Laura Dall’ Acqua, Rongfang Liu, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen
Publikováno v:
Frontiers in Molecular Biosciences, Vol 10 (2023)
Glutamate is an essential excitatory neurotransmitter and an intermediate for energy metabolism. Depending on the tumor site, cancer cells have increased or decreased expression of excitatory amino acid transporter 1 or 2 (EAAT1/2, SLC1A3/2) to regul
Externí odkaz:
https://doaj.org/article/db6bd9e55f7a43348580c6357b600742
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-14 (2023)
Abstract Rational drug design often starts from specific scaffolds to which side chains/substituents are added or modified due to the large drug-like chemical space available to search for novel drug-like molecules. With the rapid growth of deep lear
Externí odkaz:
https://doaj.org/article/12e2403ede4e4bc28f5d4d15dd0d5517
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-11 (2023)
Abstract Generative deep learning models have emerged as a powerful approach for de novo drug design as they aid researchers in finding new molecules with desired properties. Despite continuous improvements in the field, a subset of the outputs that
Externí odkaz:
https://doaj.org/article/a4174d28e65d4f28adfbc2d1428fcfa0
Autor:
Christoph Kuemmerli, Robert S. Fichtinger, Alma Moekotte, Luca A. Aldrighetti, Somaiah Aroori, Marc G. H. Besselink, Mathieu D’Hondt, Rafael Díaz-Nieto, Bjørn Edwin, Mikhail Efanov, Giuseppe M. Ettorre, Krishna V. Menon, Aali J. Sheen, Zahir Soonawalla, Robert Sutcliffe, Roberto I. Troisi, Steven A. White, Lloyd Brandts, Gerard J. P. van Breukelen, Jasper Sijberden, Siân A. Pugh, Zina Eminton, John N. Primrose, Ronald van Dam, Mohammed Abu Hilal, on behalf of the ORANGE trials collaborative
Publikováno v:
Trials, Vol 23, Iss 1, Pp 1-11 (2022)
Abstract Background A shift towards parenchymal-sparing liver resections in open and laparoscopic surgery emerged in the last few years. Laparoscopic liver resection is technically feasible and safe, and consensus guidelines acknowledge the laparosco
Externí odkaz:
https://doaj.org/article/e8a0b0a874c54369a4c2687bfd0bcdc1
Autor:
Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Michael T. M. Emmerich, Adriaan P. IJzerman, Gerard J. P. van Westen
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-15 (2021)
Abstract In polypharmacology drugs are required to bind to multiple specific targets, for example to enhance efficacy or to reduce resistance formation. Although deep learning has achieved a breakthrough in de novo design in drug discovery, most of i
Externí odkaz:
https://doaj.org/article/0871ce20cd084c358f772f94aba024a5
Autor:
Li, Zhenghao, Kendall, Matthew J. H., Machado, Gerard J., Zhu, Ruidi, Mer, Ewan, Zhan, Hao, Zhang, Aonan, Yu, Shang, Walmsley, Ian A., Patel, Raj B.
Transition-Edge Sensors (TESs) are very effective photon-number-resolving (PNR) detectors that have enabled many photonic quantum technologies. However, their relatively slow thermal recovery time severely limits their operation rate in experimental
Externí odkaz:
http://arxiv.org/abs/2411.15360
Autor:
Xuesong Wang, Willem Jespers, Rubén Prieto-Díaz, Maria Majellaro, Adriaan P. IJzerman, Gerard J. P. van Westen, Eddy Sotelo, Laura H. Heitman, Hugo Gutiérrez-de-Terán
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-10 (2021)
Abstract The four adenosine receptors (ARs) A1AR, A2AAR, A2BAR, and A3AR are G protein-coupled receptors (GPCRs) for which an exceptional amount of experimental and structural data is available. Still, limited success has been achieved in getting new
Externí odkaz:
https://doaj.org/article/e3d7468f1f4048819ea81f585f212118