Zobrazeno 1 - 10
of 844
pro vyhledávání: '"Tibo A"'
Autor:
Geylan, Gökçe, Janet, Jon Paul, Tibo, Alessandro, He, Jiazhen, Patronov, Atanas, Kabeshov, Mikhail, David, Florian, Czechtizky, Werngard, Engkvist, Ola, De Maria, Leonardo
Peptides play a crucial role in the drug design and discovery whether as a therapeutic modality or a delivery agent. Non-natural amino acids (NNAAs) have been used to enhance the peptide properties from binding affinity, plasma stability to permeabil
Externí odkaz:
http://arxiv.org/abs/2409.14040
Per- and polyfluoroalkyl substances (PFAS) are persistent environmental pollutants with known toxicity and bioaccumulation issues. Their widespread industrial use and resistance to degradation have led to global environmental contamination and signif
Externí odkaz:
http://arxiv.org/abs/2409.10370
Generating peptides with desired properties is crucial for drug discovery and biotechnology. Traditional sequence-based and structure-based methods often require extensive datasets, which limits their effectiveness. In this study, we proposed a novel
Externí odkaz:
http://arxiv.org/abs/2408.08341
Generative models for 3D drug design have gained prominence recently for their potential to design ligands directly within protein pockets. Current approaches, however, often suffer from very slow sampling times or generate molecules with poor chemic
Externí odkaz:
http://arxiv.org/abs/2406.07266
Autor:
Bossche, Tim Van Den, Verschaffelt, Pieter, Moortele, Tibo Vande, Dawyndt, Peter, Martens, Lennart, Mesuere, Bart
Metaproteomics has become a crucial omics technology for studying microbiomes. In this area, the Unipept ecosystem, accessible at https://unipept.ugent.be, has emerged as an invaluable resource for analyzing metaproteomic data. It offers in-depth ins
Externí odkaz:
http://arxiv.org/abs/2311.07494
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-12 (2024)
Abstract How many near-neighbors does a molecule have? This fundamental question in chemistry is crucial for molecular optimization problems under the similarity principle assumption. Generative models can sample molecules from a vast chemical space
Externí odkaz:
https://doaj.org/article/33626a8e13b440e18e005f3c5b5ffc4c
Autor:
Jiazhen He, Alessandro Tibo, Jon Paul Janet, Eva Nittinger, Christian Tyrchan, Werngard Czechtizky, Ola Engkvist
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-15 (2024)
Abstract Designing compounds with a range of desirable properties is a fundamental challenge in drug discovery. In pre-clinical early drug discovery, novel compounds are often designed based on an already existing promising starting compound through
Externí odkaz:
https://doaj.org/article/e73ae601958648b29407a92e9414254a
Publikováno v:
BMC Genomics, Vol 25, Iss 1, Pp 1-25 (2024)
Abstract Background The CBM13 family comprises carbohydrate-binding modules that occur mainly in enzymes and in several ricin-B lectins. The ricin-B lectin domain resembles the CBM13 module to a large extent. Historically, ricin-B lectins and CBM13 p
Externí odkaz:
https://doaj.org/article/cdf0a99ee55c4d5695c76c8e90869c16
Autor:
Maaike Hachenberger, Tobias Braun, Stefan T. Gerner, Laura Suenner, Anne Schänzer, Martin Juenemann, Clemens Mueller, Astrid Wietelmann, Erwin Stolz, Markus Schoenburg, Marlene Tschernatsch, Tibo Gerriets, Hagen B. Huttner, Mesut Yeniguen
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-11 (2024)
Abstract Using ferric chloride (FeCl3) to induce experimental superior sagittal sinus (SSS) thrombosis might interfere with magnetic resonance imaging (MRI)-assisted visualization and evaluation of the thrombus, the brain parenchyma, and the quality
Externí odkaz:
https://doaj.org/article/e7c0115fae1b4a4e8b97aab15402e402
Autor:
He, Jiazhen1 (AUTHOR) jiazhen.he@astrazeneca.com, Tibo, Alessandro1 (AUTHOR), Janet, Jon Paul1 (AUTHOR), Nittinger, Eva2 (AUTHOR), Tyrchan, Christian2 (AUTHOR), Czechtizky, Werngard2 (AUTHOR), Engkvist, Ola1,3 (AUTHOR)
Publikováno v:
Journal of Cheminformatics. 8/8/2024, Vol. 16 Issue 1, p1-15. 15p.