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Computational Studies to Discover a New NR2B/NMDA Receptor Antagonist and Evaluation of Pharmacological Profile

Autor: Gitto, R, Luca, De, Ferro, L, Occhiuto, S, Samperi, F, S, Sarro, De, Russo, G, E, Ciranna, Lucia, Costa, L, Chimirri, L

The ionotropic glutamate NMDA/NR2B receptor and its interaction with ifenprodil-like noncompetitive ligands were investigated by a combined ligand-based and target-based approach. First, we generated 3D pharmacophore hypotheses and identified common

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3e050dfdfcfcd1d4348fed90ed2547c
http://hdl.handle.net/20.500.11769/52907

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Systematic benchmarking demonstrates large language models have not reached the diagnostic accuracy of traditional rare-disease decision support tools.

Autor: Reese JT; Division of Environmental Genomics and Systems Biology, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.; Monarch Initiative., Chimirri L; Monarch Initiative.; Berlin Institute of Health at Charite Universitaetsmedizin Berlin, Berlin, Germany., Bridges Y; Monarch Initiative.; William Harvey Research Institute, Barts and The London School of Medicine and Dentistry, Queen Mary University of London, London, UK., Danis D; Monarch Initiative.; Berlin Institute of Health at Charite Universitaetsmedizin Berlin, Berlin, Germany., Caufield JH; Monarch Initiative.; University of North Carolina at Chapel Hill, Chapel Hill, NC, USA., Wissink K; Berlin Institute of Health at Charite Universitaetsmedizin Berlin, Berlin, Germany., McMurry JA; Monarch Initiative.; University of North Carolina at Chapel Hill, Chapel Hill, NC, USA., Graefe AS; Berlin Institute of Health at Charite Universitaetsmedizin Berlin, Berlin, Germany., Casiraghi E; Division of Environmental Genomics and Systems Biology, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.; AnacletoLab, Dipartimento di Informatica, Università degli Studi di Milano, Milano, Italy.; ELLIS-European Laboratory for Learning and Intelligent Systems., Valentini G; AnacletoLab, Dipartimento di Informatica, Università degli Studi di Milano, Milano, Italy.; ELLIS-European Laboratory for Learning and Intelligent Systems., Jacobsen JO; Monarch Initiative.; William Harvey Research Institute, Barts and The London School of Medicine and Dentistry, Queen Mary University of London, London, UK., Haendel M; Monarch Initiative.; University of North Carolina at Chapel Hill, Chapel Hill, NC, USA., Smedley D; Monarch Initiative.; William Harvey Research Institute, Barts and The London School of Medicine and Dentistry, Queen Mary University of London, London, UK., Mungall CJ; Monarch Initiative.; Division of Environmental Genomics and Systems Biology, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Robinson PN; Monarch Initiative.; Berlin Institute of Health at Charite Universitaetsmedizin Berlin, Berlin, Germany.; ELLIS-European Laboratory for Learning and Intelligent Systems.; The Jackson Institute for Genomic Medicine, 10 Discovery Drive, Farmington CT 06032, USA.

Publikováno v: MedRxiv : the preprint server for health sciences [medRxiv] 2024 Nov 07. Date of Electronic Publication: 2024 Nov 07.