المؤلفون: Holowinski P; Faculty of Chemistry, Department of Chromatography, Institute of Chemical Sciences, Maria Curie Sklodowska University in Lublin, 20-031, Lublin, Poland., Dybowski MP; Faculty of Chemistry, Department of Chromatography, Institute of Chemical Sciences, Maria Curie Sklodowska University in Lublin, 20-031, Lublin, Poland. m_dybowski@interia.pl.

المصدر: Forensic toxicology [Forensic Toxicol] 2024 Jul; Vol. 42 (2), pp. 111-124. Date of Electronic Publication: 2023 Dec 18.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Japanese Association of Forensic Toxicology Country of Publication: Japan NLM ID: 101315563 Publication Model: Print-Electronic Cited Medium: Print ISSN: 1860-8965 (Print) Linking ISSN: 18608965 NLM ISO Abbreviation: Forensic Toxicol Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Docking Simulation* , Protein Binding* , Magnetic Resonance Spectroscopy*/methods , Ultrafiltration*, Humans ; Binding Sites ; Molecular Dynamics Simulation ; Gas Chromatography-Mass Spectrometry ; Tandem Mass Spectrometry ; Propiophenones/chemistry ; Propiophenones/metabolism ; Serum Albumin, Human/chemistry ; Serum Albumin, Human/metabolism ; Blood Proteins/metabolism ; Blood Proteins/chemistry

المؤلفون: Bogdanova EA; Faculty of Biology, Lomonosov Moscow State University, Moscow, Russia., Novoseletsky VN; Faculty of Biology, Shenzhen MSU-BIT University, Shenzhen, China.

المصدر: Proteins [Proteins] 2024 Sep; Vol. 92 (9), pp. 1127-1136. Date of Electronic Publication: 2024 May 09.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Wiley-Liss Country of Publication: United States NLM ID: 8700181 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1097-0134 (Electronic) Linking ISSN: 08873585 NLM ISO Abbreviation: Proteins Subsets: MEDLINE

مواضيع طبية MeSH: Proteins*/chemistry , Proteins*/metabolism , Neural Networks, Computer* , Protein Binding* , Algorithms*, Thermodynamics ; Databases, Protein ; Computational Biology/methods ; Binding Sites ; Protein Interaction Mapping/methods

المؤلفون: Sampson JM; Schrödinger, Inc., Life Sciences Software, New York, NY, USA., Cannon DA; Schrödinger, GmbH, Life Sciences Software, Mannheim, Germany., Duan J; Schrödinger, GmbH, Life Sciences Software, Mannheim, Germany., Epstein JCK; Schrödinger, Inc., Life Sciences Software, New York, NY, USA., Sergeeva AP; Columbia University, Department of Systems Biology, New York, NY, USA., Katsamba PS; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA., Mannepalli SM; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA., Bahna FA; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA., Adihou H; AstraZeneca, Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, BioPharmaceuticals R&D, Gothenburg, Sweden; Max Planck Institute of Molecular Physiology, AstraZeneca-MPI Satellite Unit, Dortmund, Germany., Guéret SM; AstraZeneca, Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, BioPharmaceuticals R&D, Gothenburg, Sweden; Max Planck Institute of Molecular Physiology, AstraZeneca-MPI Satellite Unit, Dortmund, Germany., Gopalakrishnan R; AstraZeneca, Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, BioPharmaceuticals R&D, Gothenburg, Sweden; Max Planck Institute of Molecular Physiology, AstraZeneca-MPI Satellite Unit, Dortmund, Germany., Geschwindner S; AstraZeneca, Mechanistic and Structural Biology, Discovery Sciences, R&D, Gothenburg, Sweden., Rees DG; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Sigurdardottir A; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Wilkinson T; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Dodd RB; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., De Maria L; AstraZeneca, Medicinal Chemistry, Research and Early Development, Respiratory and Immunology, BioPharmaceuticals R&D, Gothenburg, Sweden., Mobarec JC; AstraZeneca, Mechanistic and Structural Biology, Discovery Sciences, R&D, Cambridge, UK., Shapiro L; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA; Columbia University, Department of Biochemistry and Molecular Biophysics, New York, NY, USA., Honig B; Columbia University, Department of Systems Biology, New York, NY, USA; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA; Columbia University, Department of Biochemistry and Molecular Biophysics, New York, NY, USA; Columbia University, Department of Medicine, New York, NY, USA., Buchanan A; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Friesner RA; Columbia University, Department of Chemistry, New York, NY, USA. Electronic address: raf8@columbia.edu., Wang L; Schrödinger, Inc., Life Sciences Software, New York, NY, USA. Electronic address: lingle.wang@schrodinger.com.

المصدر: Journal of molecular biology [J Mol Biol] 2024 Aug 15; Vol. 436 (16), pp. 168640. Date of Electronic Publication: 2024 Jun 04.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 2985088R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1089-8638 (Electronic) Linking ISSN: 00222836 NLM ISO Abbreviation: J Mol Biol Subsets: MEDLINE

مواضيع طبية MeSH: Thermodynamics* , Protein Binding* , Proteins*/metabolism , Proteins*/chemistry , Proteins*/genetics, Mutation ; Point Mutation ; Protein Conformation ; Computational Biology/methods ; Models, Molecular

المؤلفون: Liu S; School of Mathematics & Physics, Hebei University of Engineering, Handan 056038, China., Hao X; Medical College, Hebei University of Engineering, Handan 056038, China., Miao D; School of Mathematics & Physics, Hebei University of Engineering, Handan 056038, China., Zhang Y; School of Mathematics & Physics, Hebei University of Engineering, Handan 056038, China.

المصدر: The journal of physical chemistry. B [J Phys Chem B] 2024 Sep 26; Vol. 128 (38), pp. 9074-9085. Date of Electronic Publication: 2024 Sep 14.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Dynamics Simulation* , RNA-Binding Proteins*/chemistry , RNA-Binding Proteins*/metabolism , RNA-Binding Proteins*/genetics , Membrane Proteins*/chemistry , Membrane Proteins*/genetics , Membrane Proteins*/metabolism , Endonucleases*/chemistry , Endonucleases*/metabolism , Endonucleases*/genetics , Mutation* , Protein Binding*, Humans ; Static Electricity ; Binding Sites ; Cell Adhesion Molecules/chemistry ; Cell Adhesion Molecules/genetics ; Cell Adhesion Molecules/metabolism ; Hydrogen Bonding ; Thermodynamics ; Peptides/chemistry ; Peptides/metabolism ; Peptides/genetics

المؤلفون: Robinson MA; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Kennedy A; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Orozco CT; Biologics Engineering, R&D, AstraZeneca, 1, Francis Crick Avenue Cambridge CB2 0AA, UK., Chen HC; Early Oncology ICC, R&D, AstraZeneca, 1, Francis Crick Avenue, Cambridge CB2 0AA, UK., Waters E; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Giovacchini D; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Yeung K; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Filer L; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Hinze C; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Lloyd C; Biologics Engineering, R&D, AstraZeneca, 1, Francis Crick Avenue Cambridge CB2 0AA, UK., Dovedi SJ; Early Oncology ICC, R&D, AstraZeneca, 1, Francis Crick Avenue, Cambridge CB2 0AA, UK., Sansom DM; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK. Electronic address: d.sansom@ucl.ac.uk.

المصدر: Cell reports [Cell Rep] 2024 Sep 24; Vol. 43 (9), pp. 114768. Date of Electronic Publication: 2024 Sep 14.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Cell Press Country of Publication: United States NLM ID: 101573691 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2211-1247 (Electronic) NLM ISO Abbreviation: Cell Rep Subsets: MEDLINE

مواضيع طبية MeSH: B7-1 Antigen*/metabolism , CTLA-4 Antigen*/metabolism , B7-H1 Antigen*/metabolism , Protein Binding*, Humans ; Animals ; Endocytosis ; Mice

المؤلفون: Tsai HC; TandemAI, New York, New York 10036, United States.; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., Xu J; TandemAI, New York, New York 10036, United States., Guo Z; TandemAI, New York, New York 10036, United States., Yi Y; TandemAI, New York, New York 10036, United States., Tian C; TandemAI, New York, New York 10036, United States., Que X; TandemAI, New York, New York 10036, United States., Giese T; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., Lee TS; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., York DM; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., Ganguly A; TandemAI, New York, New York 10036, United States., Pan A; TandemAI, New York, New York 10036, United States.

المصدر: Journal of chemical information and modeling [J Chem Inf Model] 2024 Sep 23; Vol. 64 (18), pp. 7046-7055. Date of Electronic Publication: 2024 Sep 03.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

مواضيع طبية MeSH: Thermodynamics* , Proteins*/chemistry , Proteins*/metabolism , Protein Binding*, Ligands ; Molecular Dynamics Simulation ; Small Molecule Libraries/chemistry ; Small Molecule Libraries/metabolism ; Drug Discovery/methods

المؤلفون: Damberger FF; Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland.; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Krepl M; Institute of Biophysics of the Czech Academy of Sciences, Kralovopolska 135, Brno 612 00, Czech Republic., Arora R; Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland., Beusch I; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Maris C; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Dorn G; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Šponer J; Institute of Biophysics of the Czech Academy of Sciences, Kralovopolska 135, Brno 612 00, Czech Republic., Ravindranathan S; Central NMR Facility, CSIR-National Chemical Laboratory, Pune 411008, India., Allain FH; Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland.; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland.

المصدر: Nucleic acids research [Nucleic Acids Res] 2024 Sep 23; Vol. 52 (17), pp. 10683-10704.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN: 1362-4962 (Electronic) Linking ISSN: 03051048 NLM ISO Abbreviation: Nucleic Acids Res Subsets: MEDLINE

مواضيع طبية MeSH: Polypyrimidine Tract-Binding Protein*/metabolism , Polypyrimidine Tract-Binding Protein*/chemistry , RNA*/chemistry , RNA*/metabolism , Protein Binding*, Humans ; Molecular Dynamics Simulation ; Protein Domains ; RNA Recognition Motif ; Allosteric Regulation ; Protein Folding ; Nucleic Acid Conformation ; Binding Sites

المؤلفون: Riccio AA; Mitochondrial DNA Replication Group, Genome Integrity and Structural Biology Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC 27709, USA., Bouvette J; Molecular Microscopy Consortium, Genome Integrity and Structural Biology Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC 27709, USA., Pedersen LC; Structure Function Group, Genome Integrity and Structural Biology Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC 27709, USA., Somai S; Mitochondrial DNA Replication Group, Genome Integrity and Structural Biology Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC 27709, USA., Dutcher RC; Macromolecular Structure Group, Epigenetics and Stem Cell Biology Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC 27709, USA., Borgnia MJ; Molecular Microscopy Consortium, Genome Integrity and Structural Biology Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC 27709, USA., Copeland WC; Mitochondrial DNA Replication Group, Genome Integrity and Structural Biology Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC 27709, USA.

المصدر: Nucleic acids research [Nucleic Acids Res] 2024 Sep 23; Vol. 52 (17), pp. 10329-10340.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN: 1362-4962 (Electronic) Linking ISSN: 03051048 NLM ISO Abbreviation: Nucleic Acids Res Subsets: MEDLINE

مواضيع طبية MeSH: DNA Polymerase gamma*/metabolism , DNA Polymerase gamma*/chemistry , DNA Polymerase gamma*/genetics , DNA, Single-Stranded*/metabolism , DNA, Single-Stranded*/chemistry , DNA-Binding Proteins*/chemistry , DNA-Binding Proteins*/metabolism , DNA-Binding Proteins*/genetics , DNA-Binding Proteins*/ultrastructure , Protein Binding* , Models, Molecular*, Humans ; Crystallography, X-Ray ; Binding Sites ; Mitochondrial Proteins/chemistry ; Mitochondrial Proteins/metabolism ; Mitochondrial Proteins/genetics ; Cryoelectron Microscopy

المؤلفون: Bonnell VA; Department of Biochemistry and Molecular Biology, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Eukaryotic Gene Regulation, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Malaria Research, The Pennsylvania State University, University Park, PA 16802, USA., Zhang Y; Center for Genomic and Computational Biology, Duke University, Durham, NC 27708, USA.; Department of Biostatistics and Bioinformatics, Duke University, Durham, NC 27708, USA.; Program in Computational Biology and Bioinformatics, Duke University, Durham, NC 27708, USA., Brown AS; Department of Biochemistry and Molecular Biology, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Eukaryotic Gene Regulation, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Malaria Research, The Pennsylvania State University, University Park, PA 16802, USA., Horton J; Center for Genomic and Computational Biology, Duke University, Durham, NC 27708, USA.; Department of Biostatistics and Bioinformatics, Duke University, Durham, NC 27708, USA., Josling GA; Department of Biochemistry and Molecular Biology, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Eukaryotic Gene Regulation, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Malaria Research, The Pennsylvania State University, University Park, PA 16802, USA., Chiu TP; Department of Quantitative and Computational Biology, University of Southern California, Los Angeles, CA 90089, USA., Rohs R; Department of Quantitative and Computational Biology, University of Southern California, Los Angeles, CA 90089, USA.; Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA.; Department of Physics and Astronomy, University of Southern California, Los Angeles, CA 90089, USA.; Thomas Lord Department of Computer Science, University of Southern California, Los Angeles, CA 90089, USA., Mahony S; Department of Biochemistry and Molecular Biology, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Eukaryotic Gene Regulation, The Pennsylvania State University, University Park, PA 16802, USA., Gordân R; Center for Genomic and Computational Biology, Duke University, Durham, NC 27708, USA.; Department of Biostatistics and Bioinformatics, Duke University, Durham, NC 27708, USA.; Department of Computer Science, Duke University, Durham, NC 27708, USA.; Department of Molecular Genetics and Microbiology, Duke University, Durham, NC 27708, USA., Llinás M; Department of Biochemistry and Molecular Biology, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Eukaryotic Gene Regulation, The Pennsylvania State University, University Park, PA 16802, USA.; Huck Institutes Center for Malaria Research, The Pennsylvania State University, University Park, PA 16802, USA.; Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, USA.

المصدر: Nucleic acids research [Nucleic Acids Res] 2024 Sep 23; Vol. 52 (17), pp. 10161-10179.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN: 1362-4962 (Electronic) Linking ISSN: 03051048 NLM ISO Abbreviation: Nucleic Acids Res Subsets: MEDLINE

مواضيع طبية MeSH: Plasmodium falciparum*/genetics , Plasmodium falciparum*/metabolism , Chromatin*/metabolism , Chromatin*/genetics , Transcription Factors*/metabolism , Transcription Factors*/genetics , Nucleotide Motifs* , Protein Binding* , Protozoan Proteins*/metabolism , Protozoan Proteins*/genetics , Protozoan Proteins*/chemistry, Binding Sites ; Humans ; Malaria, Falciparum/parasitology ; Base Sequence ; DNA/metabolism ; DNA/chemistry ; Epigenesis, Genetic ; DNA, Protozoan/metabolism ; DNA, Protozoan/genetics

المؤلفون: Wang TY; Department of Chemistry, York University, Toronto, Ontario M3J 1P3, Canada.; Centre for Research on Biomolecular Interactions, York University, Toronto, Ontario M3J 1P3, Canada., Rukundo JL; Department of Chemistry, York University, Toronto, Ontario M3J 1P3, Canada.; Centre for Research on Biomolecular Interactions, York University, Toronto, Ontario M3J 1P3, Canada., Mao Z; Department of Chemistry, York University, Toronto, Ontario M3J 1P3, Canada.; Centre for Research on Biomolecular Interactions, York University, Toronto, Ontario M3J 1P3, Canada., Krylov SN; Department of Chemistry, York University, Toronto, Ontario M3J 1P3, Canada.; Centre for Research on Biomolecular Interactions, York University, Toronto, Ontario M3J 1P3, Canada.

المصدر: ACS chemical biology [ACS Chem Biol] 2024 Sep 20; Vol. 19 (9), pp. 1852-1867. Date of Electronic Publication: 2024 Aug 09.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101282906 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1554-8937 (Electronic) Linking ISSN: 15548929 NLM ISO Abbreviation: ACS Chem Biol Subsets: MEDLINE

مواضيع طبية MeSH: Protein Binding*, Kinetics