المؤلفون: Xiao F; Department of Physics, University of California, San Diego, La Jolla, 92093 CA., Galstyan V; Center for Living Systems, AMOLF, Science Park 104, Amsterdam 1098 XG, The Netherlands.

المصدر: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2024 Aug 06; Vol. 121 (32), pp. e2320118121. Date of Electronic Publication: 2024 Jul 25.

نوع المنشور: Letter

بيانات الدورية: Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1091-6490 (Electronic) Linking ISSN: 00278424 NLM ISO Abbreviation: Proc Natl Acad Sci U S A Subsets: MEDLINE

مواضيع طبية MeSH: Kinetics* , Ligands*

المؤلفون: Shen A; Digital Medical Research Center, School of Basic Medical Sciences, Fudan University, 131 Dong'an Road, Shanghai 200032, China.; Shanghai Key Laboratory of Medical Image Computing and Computer Assisted Intervention, Fudan University, 131 Dong'an Road, Shanghai 200032, China., Yuan M; Digital Medical Research Center, School of Basic Medical Sciences, Fudan University, 131 Dong'an Road, Shanghai 200032, China.; Shanghai Key Laboratory of Medical Image Computing and Computer Assisted Intervention, Fudan University, 131 Dong'an Road, Shanghai 200032, China., Ma Y; Digital Medical Research Center, School of Basic Medical Sciences, Fudan University, 131 Dong'an Road, Shanghai 200032, China.; Shanghai Key Laboratory of Medical Image Computing and Computer Assisted Intervention, Fudan University, 131 Dong'an Road, Shanghai 200032, China., Du J; Digital Medical Research Center, School of Basic Medical Sciences, Fudan University, 131 Dong'an Road, Shanghai 200032, China.; Shanghai Key Laboratory of Medical Image Computing and Computer Assisted Intervention, Fudan University, 131 Dong'an Road, Shanghai 200032, China., Wang M; Digital Medical Research Center, School of Basic Medical Sciences, Fudan University, 131 Dong'an Road, Shanghai 200032, China.; Shanghai Key Laboratory of Medical Image Computing and Computer Assisted Intervention, Fudan University, 131 Dong'an Road, Shanghai 200032, China.

المصدر: Briefings in bioinformatics [Brief Bioinform] 2024 Jul 25; Vol. 25 (5).

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Oxford University Press Country of Publication: England NLM ID: 100912837 Publication Model: Print Cited Medium: Internet ISSN: 1477-4054 (Electronic) Linking ISSN: 14675463 NLM ISO Abbreviation: Brief Bioinform Subsets: MEDLINE

مواضيع طبية MeSH: Ligands* , Proteins*/chemistry , Proteins*/metabolism , Drug Discovery*, Algorithms ; Binding Sites ; Computational Biology/methods ; Deep Learning ; Molecular Docking Simulation ; Protein Binding ; Protein Conformation

المؤلفون: Abramson J; Core Contributor, Google DeepMind, London, UK., Adler J; Core Contributor, Google DeepMind, London, UK., Dunger J; Core Contributor, Google DeepMind, London, UK., Evans R; Core Contributor, Google DeepMind, London, UK., Green T; Core Contributor, Google DeepMind, London, UK., Pritzel A; Core Contributor, Google DeepMind, London, UK., Ronneberger O; Core Contributor, Google DeepMind, London, UK., Willmore L; Core Contributor, Google DeepMind, London, UK., Ballard AJ; Core Contributor, Google DeepMind, London, UK., Bambrick J; Core Contributor, Isomorphic Labs, London, UK., Bodenstein SW; Core Contributor, Google DeepMind, London, UK., Evans DA; Core Contributor, Google DeepMind, London, UK., Hung CC; Core Contributor, Isomorphic Labs, London, UK., O'Neill M; Core Contributor, Google DeepMind, London, UK., Reiman D; Core Contributor, Google DeepMind, London, UK., Tunyasuvunakool K; Core Contributor, Google DeepMind, London, UK., Wu Z; Core Contributor, Google DeepMind, London, UK., Žemgulytė A; Core Contributor, Google DeepMind, London, UK., Arvaniti E; Google DeepMind, London, UK., Beattie C; Google DeepMind, London, UK., Bertolli O; Google DeepMind, London, UK., Bridgland A; Google DeepMind, London, UK., Cherepanov A; Isomorphic Labs, London, UK., Congreve M; Isomorphic Labs, London, UK., Cowen-Rivers AI; Google DeepMind, London, UK., Cowie A; Google DeepMind, London, UK., Figurnov M; Google DeepMind, London, UK., Fuchs FB; Google DeepMind, London, UK., Gladman H; Google DeepMind, London, UK., Jain R; Google DeepMind, London, UK., Khan YA; Google DeepMind, London, UK.; Department of Molecular and Cellular Physiology, Stanford University, Stanford, CA, USA., Low CMR; Isomorphic Labs, London, UK., Perlin K; Google DeepMind, London, UK., Potapenko A; Google DeepMind, London, UK., Savy P; Isomorphic Labs, London, UK., Singh S; Google DeepMind, London, UK., Stecula A; Isomorphic Labs, London, UK., Thillaisundaram A; Google DeepMind, London, UK., Tong C; Isomorphic Labs, London, UK., Yakneen S; Isomorphic Labs, London, UK., Zhong ED; Google DeepMind, London, UK.; Department of Computer Science, Princeton University, Princeton, NJ, USA., Zielinski M; Google DeepMind, London, UK., Žídek A; Google DeepMind, London, UK., Bapst V; Core Contributor, Google DeepMind, London, UK., Kohli P; Core Contributor, Google DeepMind, London, UK., Jaderberg M; Core Contributor, Isomorphic Labs, London, UK. jaderberg@isomorphiclabs.com., Hassabis D; Core Contributor, Google DeepMind, London, UK. dhcontact@google.com.; Core Contributor, Isomorphic Labs, London, UK. dhcontact@google.com., Jumper JM; Core Contributor, Google DeepMind, London, UK. jumper@google.com.

المصدر: Nature [Nature] 2024 Jun; Vol. 630 (8016), pp. 493-500. Date of Electronic Publication: 2024 May 08.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-4687 (Electronic) Linking ISSN: 00280836 NLM ISO Abbreviation: Nature Subsets: MEDLINE

مواضيع طبية MeSH: Deep Learning*/standards , Ligands* , Models, Molecular* , Proteins*/chemistry , Proteins*/metabolism , Software*/standards, Humans ; Antibodies/chemistry ; Antibodies/metabolism ; Antigens/metabolism ; Antigens/chemistry ; Ions/chemistry ; Ions/metabolism ; Molecular Docking Simulation ; Nucleic Acids/chemistry ; Nucleic Acids/metabolism ; Protein Binding ; Protein Conformation ; Reproducibility of Results

المؤلفون: Wienhausen G; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany. gerrit.wienhausen@uni-oldenburg.de.; Scripps Institution of Oceanography, Marine Biology Research Division, University of California San Diego, La Jolla, CA, USA. gerrit.wienhausen@uni-oldenburg.de., Moraru C; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany.; Environmental Metagenomics, Research Center One Health Ruhr of the University Alliance Ruhr, Faculty of Chemistry, University of Duisburg-Essen, Essen, Germany., Bruns S; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany., Tran DQ; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany., Sultana S; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany., Wilkes H; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany., Dlugosch L; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany., Azam F; Scripps Institution of Oceanography, Marine Biology Research Division, University of California San Diego, La Jolla, CA, USA., Simon M; Institute for Chemistry and Biology of the Marine Environment (ICBM), School of Mathematics and Science, Carl von Ossietzky Universität Oldenburg, Oldenburg, Germany. meinhard.simon@uni-oldenburg.de.; Helmholtz Institute for Functional Marine Biodiversity at the University of Oldenburg (HIFMB), Oldenburg, Germany. meinhard.simon@uni-oldenburg.de.

المصدر: Nature [Nature] 2024 May; Vol. 629 (8013), pp. 886-892. Date of Electronic Publication: 2024 May 08.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-4687 (Electronic) Linking ISSN: 00280836 NLM ISO Abbreviation: Nature Subsets: MEDLINE

مواضيع طبية MeSH: Ligands* , Vitamin B 12*/biosynthesis , Vitamin B 12*/chemistry , Vitamin B 12*/metabolism , Alteromonadaceae*/growth & development , Alteromonadaceae*/metabolism , Rhodobacteraceae*/cytology , Rhodobacteraceae*/metabolism , Rhodobacteraceae*/virology, Atlantic Ocean ; Coculture Techniques ; Microbial Interactions ; Prophages/genetics ; Prophages/growth & development ; Prophages/metabolism ; Ribonucleosides/metabolism ; Cobamides/metabolism ; Ecosystem

المؤلفون: Krishna Kumar K; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA. kaavyak@stanford.edu., Wang H; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA.; Sarafan ChEM-H, Stanford University, Stanford, CA, USA., Habrian C; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Latorraca NR; Department of Molecular and Cell Biology, University of California, Berkeley, Berkeley, CA, USA., Xu J; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., O'Brien ES; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Zhang C; Division of CryoEM and Bioimaging, Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA, USA., Montabana E; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Koehl A; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA.; Electrical Engineering and Computer Sciences, University of California, Berkeley, Berkeley, CA, USA., Marqusee S; Department of Molecular and Cell Biology, University of California, Berkeley, Berkeley, CA, USA.; QB3 Institute for Quantitative Biosciences, University of California, Berkeley, Berkeley, CA, USA.; Department of Chemistry, University of California, Berkeley, Berkeley, CA, USA., Isacoff EY; Department of Molecular and Cell Biology, University of California, Berkeley, Berkeley, CA, USA.; Helen Wills Neuroscience Institute, University of California, Berkeley, Berkeley, CA, USA., Kobilka BK; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA. kobilka@stanford.edu.

المصدر: Nature [Nature] 2024 May; Vol. 629 (8013), pp. 951-956. Date of Electronic Publication: 2024 Apr 17.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-4687 (Electronic) Linking ISSN: 00280836 NLM ISO Abbreviation: Nature Subsets: MEDLINE

مواضيع طبية MeSH: Ligands* , Protein Domains* , Receptor, Metabotropic Glutamate 5*/agonists , Receptor, Metabotropic Glutamate 5*/chemistry , Receptor, Metabotropic Glutamate 5*/metabolism, Humans ; Allosteric Regulation/drug effects ; Fluorescence ; Models, Molecular ; Protein Binding ; Single Molecule Imaging ; Heterotrimeric GTP-Binding Proteins/metabolism

المؤلفون: Zhao J; State Key Laboratory of Membrane Biology, Beijing Frontier Research Center for Biological Structure, Beijing Advanced Innovation Center for Structural Biology, Tsinghua University, Beijing, China.; Tsinghua-Peking Joint Center for Life Sciences, School of Medicine, Tsinghua University, Beijing, China.; School of Life Sciences, Tsinghua University, Beijing, China., Elgeti M; Jules Stein Eye Institute and Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA, USA. matthias.elgeti@uni-leipzig.de.; Institute for Drug Discovery, University of Leipzig Medical Center, Leipzig, Germany. matthias.elgeti@uni-leipzig.de., O'Brien ES; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Sár CP; Institute of Organic and Medicinal Chemistry, School of Pharmaceutical Sciences, University of Pécs, Pécs, Hungary., Ei Daibani A; Department of Anesthesiology, Washington University School of Medicine, St Louis, MO, USA., Heng J; State Key Laboratory of Membrane Biology, Beijing Frontier Research Center for Biological Structure, Beijing Advanced Innovation Center for Structural Biology, Tsinghua University, Beijing, China.; Tsinghua-Peking Joint Center for Life Sciences, School of Medicine, Tsinghua University, Beijing, China., Sun X; State Key Laboratory of Membrane Biology, Beijing Frontier Research Center for Biological Structure, Beijing Advanced Innovation Center for Structural Biology, Tsinghua University, Beijing, China.; Tsinghua-Peking Joint Center for Life Sciences, School of Medicine, Tsinghua University, Beijing, China., White E; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Che T; Department of Anesthesiology, Washington University School of Medicine, St Louis, MO, USA., Hubbell WL; Jules Stein Eye Institute and Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA, USA., Kobilka BK; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA. kobilka@stanford.edu., Chen C; State Key Laboratory of Membrane Biology, Beijing Frontier Research Center for Biological Structure, Beijing Advanced Innovation Center for Structural Biology, Tsinghua University, Beijing, China. chunlai@mail.tsinghua.edu.cn.; School of Life Sciences, Tsinghua University, Beijing, China. chunlai@mail.tsinghua.edu.cn.

المصدر: Nature [Nature] 2024 May; Vol. 629 (8011), pp. 474-480. Date of Electronic Publication: 2024 Apr 10.

نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't; Research Support, N.I.H., Extramural

بيانات الدورية: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-4687 (Electronic) Linking ISSN: 00280836 NLM ISO Abbreviation: Nature Subsets: MEDLINE

مواضيع طبية MeSH: Ligands* , Protein Conformation* , Receptors, Opioid, mu*/metabolism , Receptors, Opioid, mu*/chemistry, Humans ; beta-Arrestin 1/chemistry ; beta-Arrestin 1/metabolism ; Binding Sites ; Fluorescence Resonance Energy Transfer ; GTP-Binding Protein alpha Subunits, Gi-Go/metabolism ; GTP-Binding Protein alpha Subunits, Gi-Go/chemistry ; Guanosine Diphosphate/metabolism ; Guanosine Diphosphate/chemistry ; Models, Molecular ; Protein Binding ; Single Molecule Imaging

المؤلفون: Vázquez J; Pharmacelera, Parc Científic de Barcelona (PCB), C/ Baldiri Reixac 4-8, Barcelona, 08028, Spain. javier.vazquez@pharmacelera.com.; Departament de Nutrició, Ciències de l'Alimentació i Gastronomia, Facultat de Farmàcia i Ciències de l'Alimentació, Institut de Química Teòrica I Computacional (IQTC-UB), Institut de Biomedicina (IBUB), University of Barcelona, Av. Prat de la Riba 171 , Santa Coloma de Gramenet, -08921, Spain. javier.vazquez@pharmacelera.com., García R; Pharmacelera, Parc Científic de Barcelona (PCB), C/ Baldiri Reixac 4-8, Barcelona, 08028, Spain., Llinares P; Pharmacelera, Parc Científic de Barcelona (PCB), C/ Baldiri Reixac 4-8, Barcelona, 08028, Spain.; Departament de Nutrició, Ciències de l'Alimentació i Gastronomia, Facultat de Farmàcia i Ciències de l'Alimentació, Institut de Química Teòrica I Computacional (IQTC-UB), Institut de Biomedicina (IBUB), University of Barcelona, Av. Prat de la Riba 171 , Santa Coloma de Gramenet, -08921, Spain., Luque FJ; Departament de Nutrició, Ciències de l'Alimentació i Gastronomia, Facultat de Farmàcia i Ciències de l'Alimentació, Institut de Química Teòrica I Computacional (IQTC-UB), Institut de Biomedicina (IBUB), University of Barcelona, Av. Prat de la Riba 171 , Santa Coloma de Gramenet, -08921, Spain., Herrero E; Pharmacelera, Parc Científic de Barcelona (PCB), C/ Baldiri Reixac 4-8, Barcelona, 08028, Spain.

المصدر: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2024 Apr 04; Vol. 38 (1), pp. 18. Date of Electronic Publication: 2024 Apr 04.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

مواضيع طبية MeSH: Ligands*, Databases, Factual

المؤلفون: Di Cera E; Edward A. Doisy Department of Biochemistry and Molecular Biology, Saint Louis University School of Medicine, St. Louis, Missouri, USA. Electronic address: enrico@slu.edu.

المصدر: The Journal of biological chemistry [J Biol Chem] 2024 Apr; Vol. 300 (4), pp. 107131. Date of Electronic Publication: 2024 Mar 02.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: Elsevier Inc. on behalf of American Society for Biochemistry and Molecular Biology Country of Publication: United States NLM ID: 2985121R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1083-351X (Electronic) Linking ISSN: 00219258 NLM ISO Abbreviation: J Biol Chem Subsets: MEDLINE

مواضيع طبية MeSH: Kinetics* , Ligands* , Biochemistry*/methods, Enzyme Precursors/metabolism ; Enzyme Precursors/chemistry ; Protein Binding ; Protein Conformation ; Prothrombin/metabolism ; Prothrombin/chemistry ; Thrombin/metabolism ; Thrombin/chemistry ; Serine Proteases/metabolism ; Catalytic Domain

المؤلفون: Olenginski LT; Department of Biochemistry, University of Colorado, Boulder, Colorado, USA., Spradlin SF; Department of Biochemistry, University of Colorado, Boulder, Colorado, USA., Batey RT; Department of Biochemistry, University of Colorado, Boulder, Colorado, USA. Electronic address: Robert.Batey@colorado.edu.

المصدر: The Journal of biological chemistry [J Biol Chem] 2024 Mar; Vol. 300 (3), pp. 105730. Date of Electronic Publication: 2024 Feb 08.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Inc. on behalf of American Society for Biochemistry and Molecular Biology Country of Publication: United States NLM ID: 2985121R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1083-351X (Electronic) Linking ISSN: 00219258 NLM ISO Abbreviation: J Biol Chem Subsets: MEDLINE

مواضيع طبية MeSH: Ligands* , Riboswitch*/genetics , RNA, Messenger*/chemistry , RNA, Messenger*/genetics , RNA, Messenger*/metabolism, Bacteria/genetics ; Bacteria/metabolism ; Aptamers, Nucleotide/chemistry ; Aptamers, Nucleotide/genetics ; Aptamers, Nucleotide/metabolism ; Gene Expression Regulation, Bacterial

المؤلفون: Wu K; Department of Oncological Sciences, The Icahn School of Medicine at Mount Sinai, New York, New York, USA., DeVita RJ; Department of Pharmacological Sciences, The Icahn School of Medicine at Mount Sinai, New York, New York, USA; Drug Discovery Institute, The Icahn School of Medicine at Mount Sinai, New York, New York, USA., Pan ZQ; Department of Oncological Sciences, The Icahn School of Medicine at Mount Sinai, New York, New York, USA. Electronic address: zhen-qiang.pan@mssm.edu.

المصدر: The Journal of biological chemistry [J Biol Chem] 2024 Mar; Vol. 300 (3), pp. 105752. Date of Electronic Publication: 2024 Feb 13.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Inc. on behalf of American Society for Biochemistry and Molecular Biology Country of Publication: United States NLM ID: 2985121R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1083-351X (Electronic) Linking ISSN: 00219258 NLM ISO Abbreviation: J Biol Chem Subsets: MEDLINE

مواضيع طبية MeSH: Ligands* , Ubiquitin-Protein Ligases*/genetics , Ubiquitin-Protein Ligases*/metabolism , Ubiquitination*/drug effects, Animals ; Humans ; Mice ; beta Catenin/metabolism ; beta-Transducin Repeat-Containing Proteins/metabolism ; Cullin Proteins/metabolism ; Suramin/pharmacology ; Ubiquitin/metabolism ; NEDD8 Protein/metabolism