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pro vyhledávání: '"A, Eckmann"'
Current generative models for drug discovery primarily use molecular docking as an oracle to guide the generation of active compounds. However, such models are often not useful in practice because even compounds with high docking scores do not consis
Externí odkaz:
http://arxiv.org/abs/2410.11226
Autor:
Hoffmann, Johannes, de Preville, Sophie, Eckmann, Bruno, Lin, Hung-Ju, Herzog, Benedikt, Haddadi, Kamel, Theron, Didier, Gramse, Georg, Richert, Damien, Moran-Meza, Jose, Piquemal, Francois
In this paper, a definition of the gain and added noise of impedance matching networks for scanning microwave microscopy is given. This definition can be used to compare different impedance matching techniques independently of the instrument used to
Externí odkaz:
http://arxiv.org/abs/2409.11207
This technical report investigates variants of the Latent Inceptionism on Molecules (LIMO) framework to improve the properties of generated molecules. We conduct ablative studies of molecular representation, decoder model, and surrogate model trainin
Externí odkaz:
http://arxiv.org/abs/2407.14968
A cylinder will roll down an inclined plane in a straight line. A cone will roll around a circle on that plane and then will stop rolling. We ask the inverse question: For which curves drawn on the inclined plane $\mathbb{R}^2$ can one carve a shape
Externí odkaz:
http://arxiv.org/abs/2406.16336
We introduce a lattice model to probe the effect of active self-disassembly on equilibrium self-assembly. Surprisingly, we find conditions under which active self-disassembly enhances the yield of a target structure above that achieved by self-assemb
Externí odkaz:
http://arxiv.org/abs/2405.07239
Current generative models for drug discovery primarily use molecular docking to evaluate the quality of generated compounds. However, such models are often not useful in practice because even compounds with high docking scores do not consistently sho
Externí odkaz:
http://arxiv.org/abs/2402.10387
Autor:
Jan Silhan, Pavla Fajtova, Jitka Bartosova, Brianna M. Hurysz, Jehad Almaliti, Yukiko Miyamoto, Lars Eckmann, William H. Gerwick, Anthony J. O’Donoghue, Evzen Boura
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-12 (2024)
Abstract The proteasome is a proteolytic enzyme complex essential for protein homeostasis in mammalian cells and protozoan parasites like Trichomonas vaginalis (Tv), the cause of the most common, non-viral sexually transmitted disease. Tv and other p
Externí odkaz:
https://doaj.org/article/abd0f24bf800449e83e758d89f1c5a2b
Autor:
Eric Simpson, Peter Lio, Evangeline Pierce, Angel Cronin, Robert R. McLean, Thomas Eckmann, Amber Reck Atwater, Zach Dawson, Jonathan I. Silverberg
Publikováno v:
JEADV Clinical Practice, Vol 3, Iss 4, Pp 1061-1075 (2024)
Abstract Background Atopic dermatitis (AD) is associated with patient burden, but few studies describe the anatomic distribution of the disease or the impact of number of lesion locations. Objectives To describe lesion locations and assess the relati
Externí odkaz:
https://doaj.org/article/1df801ec59644b639d7259309537b19e
Autor:
Eckmann, Jean-Pierre
This paper is an adaptation of the introduction to a book project by the late Mitchell J. Feigenbaum (1944-2019). While Feigenbaum is certainly mostly known for his theory of period doubling cascades, he had a lifelong interest in optics. His book pr
Externí odkaz:
http://arxiv.org/abs/2303.03258
Autor:
Mark Lebwohl, Bruce Strober, Amy Schrader, Alvin H. Li, Thomas Eckmann, Baojin Zhu, William N. Malatestinic, Julie Birt, Meghan Feely, Andrew Blauvelt
Publikováno v:
Drugs - Real World Outcomes, Vol 11, Iss 3, Pp 451-464 (2024)
Abstract Background Prior work showed that patients from the CorEvitas Psoriasis Registry who had previously failed a prior biologic and then initiated ixekizumab demonstrated improvements in disease severity and patient-reported outcomes after 6 mon
Externí odkaz:
https://doaj.org/article/5609bda68fd54de38cb6383ba4e84d38