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Wyszukujesz frazę ""Drug Discovery"" wg kryterium: Temat


Tytuł:
CAT-DTI: cross-attention and Transformer network with domain adaptation for drug-target interaction prediction.
Autorzy:
Zeng X; School of Computer and Software, Shenzhen University, Shenzhen, 518060, China.
Chen W; Marshall Laboratory of Biomedical Engineering, Shenzhen University Medical School, Shenzhen University, Shenzhen, 518055, China. .
Lei B; School of Biomedical Engineering, Shenzhen University, Shenzhen, 518055, China. .
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Źródło:
BMC bioinformatics [BMC Bioinformatics] 2024 Apr 02; Vol. 25 (1), pp. 141. Date of Electronic Publication: 2024 Apr 02.
Typ publikacji:
Journal Article
MeSH Terms:
Drug Development*
Drug Discovery*
Drug Interactions ; Amino Acid Sequence ; Amino Acids
Czasopismo naukowe
Tytuł:
Medium-Sized Ring Expansion Strategies: Enhancing Small-Molecule Library Development.
Autorzy:
Lee H; Department of Chemistry and Chemistry Institute for Functional Materials, Pusan National University, Busan 46241, Republic of Korea.
Kim J; Department of Chemistry and Integrative Institute of Basic Science, Soongsil University, Seoul 06978, Republic of Korea.
Koh M; Department of Chemistry and Chemistry Institute for Functional Materials, Pusan National University, Busan 46241, Republic of Korea.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2024 Mar 31; Vol. 29 (7). Date of Electronic Publication: 2024 Mar 31.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Drug Discovery*
Manipulation, Osteopathic*
Gene Library ; Cyclization
Czasopismo naukowe
Tytuł:
Triple Generative Self-Supervised Learning Method for Molecular Property Prediction.
Autorzy:
Xu L; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.
Xia L; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.
Pan S; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.
Li Z; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.
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Źródło:
International journal of molecular sciences [Int J Mol Sci] 2024 Mar 28; Vol. 25 (7). Date of Electronic Publication: 2024 Mar 28.
Typ publikacji:
Journal Article
MeSH Terms:
Benchmarking*
Drug Discovery*
Animals ; Electric Power Supplies ; Estrus ; Supervised Machine Learning
Czasopismo naukowe
Tytuł:
GEFormerDTA: drug target affinity prediction based on transformer graph for early fusion.
Autorzy:
Liu Y; Department of Computer Science and Technology, Shandong University of Technology, Zibo, 255000, China.
Xing L; Department of Computer Science and Technology, Shandong University of Technology, Zibo, 255000, China. .
Zhang L; Department of Computer Science and Technology, Shandong University of Technology, Zibo, 255000, China.
Cai H; Department of Agricultural Engineering and Food Science, Shandong University of Technology, Zibo, 255000, China.
Guo M; Department of Electrical and Information Engineering, Beijing University of Architecture, Beijing, 102616, China.
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Źródło:
Scientific reports [Sci Rep] 2024 Mar 28; Vol. 14 (1), pp. 7416. Date of Electronic Publication: 2024 Mar 28.
Typ publikacji:
Journal Article
MeSH Terms:
Drug Discovery*
Drug Repositioning*
Amino Acid Sequence ; Electric Power Supplies ; Learning
Czasopismo naukowe
Tytuł:
Breaking Bad Proteins-Discovery Approaches and the Road to Clinic for Degraders.
Autorzy:
Bouvier C; Laboratoire de Chimie de Coordination LCC-UPR 8241-CNRS, 31077 Toulouse, France.
Lawrence R; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Cavallo F; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Xolalpa W; Departamento de Ingeniería Celular y Biocatálisis, Instituto de Biotecnología, Universidad Nacional Autónoma de México, Cuernavaca 62209, Morelos, Mexico.
Jordan A; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Hjerpe R; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Rodriguez MS; Laboratoire de Chimie de Coordination LCC-UPR 8241-CNRS, 31077 Toulouse, France.; Pharmadev, UMR 152, Université de Toulouse, IRD, UT3, 31400 Toulouse, France.; B Molecular, Centre Pierre Potier, Canceropôle, 31106 Toulouse, France.
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Źródło:
Cells [Cells] 2024 Mar 26; Vol. 13 (7). Date of Electronic Publication: 2024 Mar 26.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Drug Discovery*
Medical Oncology*
Cytoplasm ; Proteasome Endopeptidase Complex ; Proteolysis ; Ubiquitin
Czasopismo naukowe
Tytuł:
Towards explainable interaction prediction: Embedding biological hierarchies into hyperbolic interaction space.
Autorzy:
Pogány D; Department of Measurement and Information Systems, Budapest University of Technology and Economics, Budapest, Hungary.
Antal P; Department of Measurement and Information Systems, Budapest University of Technology and Economics, Budapest, Hungary.
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Źródło:
PloS one [PLoS One] 2024 Mar 21; Vol. 19 (3), pp. e0300906. Date of Electronic Publication: 2024 Mar 21 (Print Publication: 2024).
Typ publikacji:
Journal Article
MeSH Terms:
Machine Learning*
Drug Discovery*/methods
Drug Development ; Proteins
Czasopismo naukowe
Tytuł:
Classification of likely functional class for ligand binding sites identified from fragment screening.
Autorzy:
Utgés JS; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK.
MacGowan SA; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK.
Ives CM; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK.; Department of Chemistry and Hamilton Institute, Maynooth University, Maynooth, Ireland.
Barton GJ; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK. .
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Źródło:
Communications biology [Commun Biol] 2024 Mar 13; Vol. 7 (1), pp. 320. Date of Electronic Publication: 2024 Mar 13.
Typ publikacji:
Journal Article
MeSH Terms:
Proteins*/metabolism
Drug Discovery*/methods
Humans ; Ligands ; Binding Sites
Czasopismo naukowe
Tytuł:
Computational Approaches and Drug Discovery: Where Are We Going?
Autorzy:
Tutone M; Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche (STEBICEF), Università degli Studi di Palermo, Via Archirafi 32, 90123 Palermo, Italy.
Almerico AM; Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche (STEBICEF), Università degli Studi di Palermo, Via Archirafi 32, 90123 Palermo, Italy.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2024 Feb 22; Vol. 29 (5). Date of Electronic Publication: 2024 Feb 22.
Typ publikacji:
Editorial
MeSH Terms:
Drug Discovery*
Computational Biology*
Opinia redakcyjna
Tytuł:
A New Drug Discovery Platform: Application to DNA Polymerase Eta and Apurinic/Apyrimidinic Endonuclease 1.
Autorzy:
Das D; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Accelero Biostructures, Inc., San Carlos, CA 94070, USA.
Duncton MAJ; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Georgiadis TM; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Pellicena P; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Clark J; Mitchell Cancer Institute and Department of Pharmacology, University of South Alabama, Mobile, AL 36604, USA.
Sobol RW; Mitchell Cancer Institute and Department of Pharmacology, University of South Alabama, Mobile, AL 36604, USA.; Department of Pathology & Laboratory Medicine, Warrant Alpert Medical School & Legorreta Cancer Center, Brown University, Providence, RI 02912, USA.
Georgiadis MM; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Department of Biochemistry and Molecular Biology, Indiana University School of Medicine, Indianapolis, IN 46202, USA.
King-Underwood J; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Jobes DV; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Mid-Atlantic BioTherapeutics, Inc., Doylestown, PA 18902, USA.
Chang C; Department of BioSciences, Rice University, Houston, TX 77251, USA.
Gao Y; Department of BioSciences, Rice University, Houston, TX 77251, USA.
Deacon AM; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Accelero Biostructures, Inc., San Carlos, CA 94070, USA.
Wilson DM 3rd; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Biomedical Research Institute, Hasselt University, 3500 Diepenbeek, Belgium.; Belgium & Boost Scientific, 3550 Heusden-Zolder, Belgium.
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Źródło:
International journal of molecular sciences [Int J Mol Sci] 2023 Nov 23; Vol. 24 (23). Date of Electronic Publication: 2023 Nov 23.
Typ publikacji:
Journal Article
MeSH Terms:
DNA-Directed DNA Polymerase*/metabolism
Drug Discovery*
Binding Sites ; Endonucleases/metabolism ; Crystallography, X-Ray ; DNA-(Apurinic or Apyrimidinic Site) Lyase/metabolism
Czasopismo naukowe
Tytuł:
Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery.
Autorzy:
Li Z; National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR 72079, USA.
Huang R; National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD 20892, USA.
Xia M; National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD 20892, USA.
Patterson TA; National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR 72079, USA.
Hong H; National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR 72079, USA.
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Źródło:
Biomolecules [Biomolecules] 2024 Jan 05; Vol. 14 (1). Date of Electronic Publication: 2024 Jan 05.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Drug Discovery*
Machine Learning*
Ligands ; Binding Sites ; Quantitative Structure-Activity Relationship
Czasopismo naukowe
Tytuł:
SolPredictor: Predicting Solubility with Residual Gated Graph Neural Network.
Autorzy:
Ahmad W; Department of Electronics and Information Engineering, Jeonbuk National University, Jeonju 54896, Republic of Korea.
Tayara H; School of International Engineering and Science, Jeonbuk National University, Jeonju 54896, Republic of Korea.
Shim H; School of Pharmacy, Jeonbuk National University, Jeonju 54896, Republic of Korea.
Chong KT; Department of Electronics and Information Engineering, Jeonbuk National University, Jeonju 54896, Republic of Korea.; Advanced Electronics and Information Research Center, Jeonbuk National University, Jeonju 54896, Republic of Korea.
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Źródło:
International journal of molecular sciences [Int J Mol Sci] 2024 Jan 05; Vol. 25 (2). Date of Electronic Publication: 2024 Jan 05.
Typ publikacji:
Journal Article
MeSH Terms:
Drug Development*
Drug Discovery*
Solubility ; Correlation of Data ; Neural Networks, Computer
Czasopismo naukowe
Tytuł:
Techniques and Strategies in Drug Design and Discovery.
Autorzy:
Nitulescu GM; Faculty of Pharmacy, 'Carol Davila' University of Medicine and Pharmacy, 6 Traian Vuia Street, 020956 Bucharest, Romania.
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Źródło:
International journal of molecular sciences [Int J Mol Sci] 2024 Jan 23; Vol. 25 (3). Date of Electronic Publication: 2024 Jan 23.
Typ publikacji:
Editorial
MeSH Terms:
Drug Design*
Drug Discovery*
Opinia redakcyjna
Tytuł:
Reusable rule-based cell cycle model explains compartment-resolved dynamics of 16 observables in RPE-1 cells.
Autorzy:
Lang PF; Department of Biochemistry, University of Oxford, Oxford, United Kingdom.
Penas DR; Computational Biology Lab, MBG-CSIC (Spanish National Research Council), Pontevedra, Spain.
Banga JR; Computational Biology Lab, MBG-CSIC (Spanish National Research Council), Pontevedra, Spain.
Weindl D; Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), Neuherberg, Germany.
Novak B; Department of Biochemistry, University of Oxford, Oxford, United Kingdom.
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Źródło:
PLoS computational biology [PLoS Comput Biol] 2024 Jan 08; Vol. 20 (1), pp. e1011151. Date of Electronic Publication: 2024 Jan 08 (Print Publication: 2024).
Typ publikacji:
Journal Article
MeSH Terms:
Neurons*
Drug Discovery*
Humans ; Animals ; Cell Division ; Cell Cycle ; Research Design ; Mammals
Czasopismo naukowe
Tytuł:
Contextualising the developability risk of antibodies with lambda light chains using enhanced therapeutic antibody profiling.
Autorzy:
Raybould MIJ; Oxford Protein Informatics Group, Department of Statistics, University of Oxford, 24-29 St Giles', Oxford, OX1 3LB, UK.
Turnbull OM; Oxford Protein Informatics Group, Department of Statistics, University of Oxford, 24-29 St Giles', Oxford, OX1 3LB, UK.
Suter A; Oxford Protein Informatics Group, Department of Statistics, University of Oxford, 24-29 St Giles', Oxford, OX1 3LB, UK.
Guloglu B; Oxford Protein Informatics Group, Department of Statistics, University of Oxford, 24-29 St Giles', Oxford, OX1 3LB, UK.
Deane CM; Oxford Protein Informatics Group, Department of Statistics, University of Oxford, 24-29 St Giles', Oxford, OX1 3LB, UK. .
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Źródło:
Communications biology [Commun Biol] 2024 Jan 08; Vol. 7 (1), pp. 62. Date of Electronic Publication: 2024 Jan 08.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Antibodies*/therapeutic use
Drug Discovery*
Humans ; Epitopes ; Machine Learning ; Surface Properties
Czasopismo naukowe
Tytuł:
MolOptimizer: A Molecular Optimization Toolkit for Fragment-Based Drug Design.
Autorzy:
Soffer A; Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.; Data Science Research Centre, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Viswas SJ; Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.; Data Science Research Centre, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Alon S; Department of Software Engineering, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Rozenberg N; Department of Software Engineering, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Peled A; Department of Software Engineering, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Piro D; Department of Software Engineering, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Vilenchik D; School of Computer and Electrical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Akabayov B; Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.; Data Science Research Centre, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2024 Jan 04; Vol. 29 (1). Date of Electronic Publication: 2024 Jan 04.
Typ publikacji:
Journal Article
MeSH Terms:
Drug Design*
Drug Discovery*
Machine Learning
Czasopismo naukowe
Tytuł:
Predicting drug-protein interactions by preserving the graph information of multi source data.
Autorzy:
Wei J; School of Mathematical Sciences, Guizhou Normal University, Guiyang, 550025, China.
Lu L; School of Mathematical Sciences, Guizhou Normal University, Guiyang, 550025, China. .; School of Mathematical Sciences, Xiamen University, Xiamen, 361005, China. .
Shen T; Key Laboratory of Information and Computing Science Guizhou Province, Guizhou Normal University, Guizhou, 550001, China. .
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Źródło:
BMC bioinformatics [BMC Bioinformatics] 2024 Jan 04; Vol. 25 (1), pp. 10. Date of Electronic Publication: 2024 Jan 04.
Typ publikacji:
Journal Article
MeSH Terms:
Drug Discovery*
Learning*
Drug Interactions ; Neural Networks, Computer
Czasopismo naukowe
Tytuł:
Diversity-Orientated Synthesis and Biological Properties of Compounds Based on the N -Phenylquinoneimine Scaffold.
Autorzy:
Adesina A; Department of Chemistry, Federal University of Agriculture, Abeokuta 111101, Nigeria.
Skouta R; Department of Biology, University of Massachusetts, Amherst, MA 01003, USA.; Department of Chemistry, University of Massachusetts, Amherst, MA 01003, USA.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2024 Jan 03; Vol. 29 (1). Date of Electronic Publication: 2024 Jan 03.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Chemistry, Pharmaceutical*
Drug Discovery*
Czasopismo naukowe
Tytuł:
From byte to bench to bedside: molecular dynamics simulations and drug discovery.
Autorzy:
Ahmed M; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA.
Maldonado AM; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA.
Durrant JD; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA. .
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Źródło:
BMC biology [BMC Biol] 2023 Dec 29; Vol. 21 (1), pp. 299. Date of Electronic Publication: 2023 Dec 29.
Typ publikacji:
Letter
MeSH Terms:
Molecular Dynamics Simulation*
Drug Discovery*
Opinia redakcyjna
Tytuł:
Deciphering downstream receptor signaling.
Autorzy:
Filizola M; Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Javitch JA; Department of Psychiatry, Vagelos College of Physicians and Surgeons, Columbia University, New York, NY, USA.; Department of Molecular Pharmacology and Therapeutics, Vagelos College of Physicians and Surgeons, Columbia University, New York, NY, USA.; Division of Molecular Therapeutics, New York State Psychiatric Institute, New York, NY, USA.
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Źródło:
Science (New York, N.Y.) [Science] 2023 Dec 22; Vol. 382 (6677), pp. 1357-1358. Date of Electronic Publication: 2023 Dec 21.
Typ publikacji:
Journal Article
MeSH Terms:
Drug Discovery*
Receptors, Adrenergic, beta-1*/chemistry
Adrenergic beta-1 Receptor Agonists*/chemistry
Ligands ; Bioluminescence Resonance Energy Transfer Techniques ; Protein Conformation ; Humans ; Protein Binding ; Binding Sites
Czasopismo naukowe
Tytuł:
A Robust and Efficient FRET-Based Assay for Cannabinoid Receptor Ligands Discovery.
Autorzy:
Navarro G; Department of Biochemistry and Physiology, Faculty of Pharmacy and Food Science, University of Barcelona, 08028 Barcelona, Spain.; Institute of Neuroscience of the University of Barcelona, 08035 Barcelona, Spain.
Sotelo E; Department of Organic Chemistry, Center for Research in Biological Chemistry and Molecular Materials (CiQUS), University of Santiago de Compostela, 15782 Santiago de Compostela, Spain.
Raïch I; Department of Biochemistry and Physiology, Faculty of Pharmacy and Food Science, University of Barcelona, 08028 Barcelona, Spain.; Institute of Neuroscience of the University of Barcelona, 08035 Barcelona, Spain.
Loza MI; Research Center in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782 Santiago de Compostela, Spain.
Brea J; Research Center in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782 Santiago de Compostela, Spain.
Majellaro M; Celtarys Research SL, Avda. Mestre Mateo, 2, 15706 Santiago de Compostela, Spain.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2023 Dec 15; Vol. 28 (24). Date of Electronic Publication: 2023 Dec 15.
Typ publikacji:
Journal Article
MeSH Terms:
Fluorescence Resonance Energy Transfer*/methods
Drug Discovery*
Ligands ; Protein Binding ; Receptors, Cannabinoid ; Coloring Agents
Czasopismo naukowe

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