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Academic Journal

Accurate model and ensemble refinement using cryo-electron microscopy maps and Bayesian inference.

  • Authors : Hoff SE; Institut Pasteur, Université Paris Cité, CNRS UMR 3528, Computational Structural Biology Unit, Paris, France.; Thomasen FE

Subjects: Cryoelectron Microscopy*/Cryoelectron Microscopy*/Cryoelectron Microscopy*/methods ; Bayes Theorem* ; Models, Molecular*

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Jul 15; Vol. 20 (7), pp. e1012180. Date of Electronic Publication: 2024 Jul 15 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

A kinetic model for USP14 regulated substrate degradation in 26S proteasome.

  • Authors : Wu D; The State Key Laboratory for Artificial Microstructures and Mesoscopic Physics, School of Physics, Peking University, Beijing, China.; Ouyang Q

Subjects: Proteasome Endopeptidase Complex*/Proteasome Endopeptidase Complex*/Proteasome Endopeptidase Complex*/metabolism ; Proteasome Endopeptidase Complex*/Proteasome Endopeptidase Complex*/Proteasome Endopeptidase Complex*/chemistry ; Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/metabolism

  • Source: PLoS computational biology [PLoS Comput Biol] 2025 May 02; Vol. 21 (5), pp. e1012761. Date of Electronic Publication: 2025 May 02 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Tracking conformational transitions of the gonadotropin hormone receptors in a bilayer of (SDPC) poly-unsaturated lipids from all-atom molecular dynamics simulations.

  • Authors : Jardón-Valadez E; Departamento de Recursos de la Tierra, Unidad Lerma, Universidad Autónoma Metropolitana, Lerma de Villada, Estado de México, Mexico.; Ulloa-Aguirre A

Subjects: Molecular Dynamics Simulation* ; Follicle Stimulating Hormone*; Amino Acid Sequence

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Jan 11; Vol. 20 (1), pp. e1011415. Date of Electronic Publication: 2024 Jan 11 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Gentle and fast all-atom model refinement to cryo-EM densities via a maximum likelihood approach.

  • Authors : Blau C; Department of Applied Physics, Science for Life Laboratory, KTH Royal Institute of Technology, Stockholm, Sweden.; Yvonnesdotter L

Subjects: Proteins*/Proteins*/Proteins*/chemistry ; Molecular Dynamics Simulation*; Protein Conformation

  • Source: PLoS computational biology [PLoS Comput Biol] 2023 Jul 31; Vol. 19 (7), pp. e1011255. Date of Electronic Publication: 2023 Jul 31 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Computational epitope mapping of class I fusion proteins using low complexity supervised learning methods.

  • Authors : Fischer MFS; Department of Chemistry, Vanderbilt University, Nashville, Tennessee, United States of America.; Center for Structural Biology, Vanderbilt University, Nashville, Tennessee, United States of America.

Subjects: Antibodies, Monoclonal* ; Antibodies, Neutralizing*; Epitope Mapping/Epitope Mapping/Epitope Mapping/methods

  • Source: PLoS computational biology [PLoS Comput Biol] 2022 Dec 07; Vol. 18 (12), pp. e1010230. Date of Electronic Publication: 2022 Dec 07 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Multi-scale simulations of the T cell receptor reveal its lipid interactions, dynamics and the arrangement of its cytoplasmic region.

  • Authors : Prakaash D; Leeds Institute of Cardiovascular and Metabolic Medicine, School of Medicine, University of Leeds, Leeds, United Kingdom.; Astbury Center for Structural Molecular Biology, University of Leeds, Leeds, United Kingdom.

Subjects: Models, Molecular*; Receptor-CD3 Complex, Antigen, T-Cell/Receptor-CD3 Complex, Antigen, T-Cell/Receptor-CD3 Complex, Antigen, T-Cell/*chemistry ; Receptor-CD3 Complex, Antigen, T-Cell/Receptor-CD3 Complex, Antigen, T-Cell/Receptor-CD3 Complex, Antigen, T-Cell/*metabolism

  • Source: PLoS computational biology [PLoS Comput Biol] 2021 Jul 19; Vol. 17 (7), pp. e1009232. Date of Electronic Publication: 2021 Jul 19 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

How does Sec63 affect the conformation of Sec61 in yeast?

  • Authors : Bhadra P; Center for Bioinformatics, Saarland University, Saarbrücken, Saarland, Germany.; Yadhanapudi L

Subjects: Heat-Shock Proteins*/Heat-Shock Proteins*/Heat-Shock Proteins*/chemistry ; Heat-Shock Proteins*/Heat-Shock Proteins*/Heat-Shock Proteins*/metabolism ; Membrane Transport Proteins*/Membrane Transport Proteins*/Membrane Transport Proteins*/chemistry

  • Source: PLoS computational biology [PLoS Comput Biol] 2021 Mar 29; Vol. 17 (3), pp. e1008855. Date of Electronic Publication: 2021 Mar 29 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Reliable estimation of membrane curvature for cryo-electron tomography.

  • Authors : Salfer M; Department of Molecular Structural Biology, Max Planck Institute of Biochemistry, Martinsried, Germany.; Graduate School of Quantitative Biosciences Munich, Munich, Germany.

Subjects: Software*; Cell Membrane/Cell Membrane/Cell Membrane/*physiology ; Cryoelectron Microscopy/Cryoelectron Microscopy/Cryoelectron Microscopy/*methods

  • Source: PLoS computational biology [PLoS Comput Biol] 2020 Aug 10; Vol. 16 (8), pp. e1007962. Date of Electronic Publication: 2020 Aug 10 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Shape-preserving elastic solid models of macromolecules.

  • Authors : Song G; Department of Computer Science, Iowa State University, Ames, Iowa, United States of America.; Program of Bioinformatics and Computational Biology, Iowa State University, Ames, Iowa, United States of America.

Subjects: Elasticity* ; Models, Chemical*; Macromolecular Substances/Macromolecular Substances/Macromolecular Substances/*chemistry

  • Source: PLoS computational biology [PLoS Comput Biol] 2020 May 14; Vol. 16 (5), pp. e1007855. Date of Electronic Publication: 2020 May 14 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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