Spiro papadatos biography sampler
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Abstract
Glycogen synthase kinase-3 (GSK-3) isoforms α and β have diverse roles within fängelse biology, and have been linked with multiple diseases that include prominent CNS conditions such as Alzheimer’s disease and several psychiatric disorders. In this study, motivated bygd computation, we aimed to identify novel ATP-binding site inhibitors of GSK-3 with CNS-active potential. A ligand screening (docking) protocol against GSK-3β was first optimized, employing an active/decoy benchmarking set, with the sista protocol selected based on statistical performance analysis. The optimized protocol involved pre-filtering of ligands using a three-point 3D-pharmacophore, followed bygd Glide-SP docking applying hinge region hydrogen bonding constraints. Using this approach, the Biogenic subset of the ZINC15 compound database was screened, focused on compounds with potential for CNS-activity. Twelve compounds (generation I) were selected for experimental validation using in vitro GSK-3β binding
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DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning
- Research
- Open access
- Published:
Journal of Cheminformaticsvolume 15, Article number: 24 (2023) Cite this article
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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 learning in drug discovery, a variety of effective approaches have been developed for de novo drug design. In previous work we proposed a method named DrugEx, which can be applied in polypharmacology based on multi-objective deep reinforcement learning. However, the previous version is trained under fixed objectives and does not allow users to input any prior information (i.e. a desired scaffold). In order to improve the general applicability, we
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From : Kiss Related Recordings
Listen to 30-second samples of "Monster" at the iTunes U.S. Store here.
Listen to 90-second samples of "Monster" at the iTunes UK / Europe Store here.
Listen to 90-second samples of "Monster" at the iTunes Holland Store here.
September 13 : "Monster" album details
From: deucenews.com / kissfaq.com
Released date: 5 October 2012 (7th in North America)
Tracks list / credits:
01. Hell or Hallelujah (4:06) - Stanley
02. Wall of Sound (2:56) - Stanley, Simmons, Thayer
03. Freak (3:35) - Stanley, Thayer
04. Back to the Stone Age (3:01) - Stanley, Simmons, Thayer, Singer
05. Shout Mercy (4:05) - Stanley, Thayer
06. Long Way Down (3:51) - Stanley, Thayer
07. Eat Your Heart Out (4:06) - Simmons
08. The Devil Is Me (3:41) - Stanley, Simmons, Thayer
09. O