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  • 1-10 ل  203 نتائج ل ""molecular dynamics simulation""

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Publication : communications biology
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Academic Journal

Structure and dynamics of the interaction of Delta and Omicron BA.1 SARS-CoV-2 variants with REGN10987 Fab reveal mechanism of antibody action.

  • Authors : Lyukmanova EN; Department of Biology, Shenzhen MSU-BIT University, Shenzhen, China. .; Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia. .

Subjects: SARS-CoV-2*/SARS-CoV-2*/SARS-CoV-2*/genetics ; SARS-CoV-2*/SARS-CoV-2*/SARS-CoV-2*/immunology ; Molecular Dynamics Simulation* SARS-CoV-2 variants

  • Source: Communications biology [Commun Biol] 2024 Dec 24; Vol. 7 (1), pp. 1698. Date of Electronic Publication: 2024 Dec 24.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Water in peripheral TM-interfaces of Orai1-channels triggers pore opening.

  • Authors : Hopl V; Institute of Biophysics, JKU Life Science Center, Johannes Kepler University Linz, Linz, Austria.; Tiffner A

Subjects: ORAI1 Protein*/ORAI1 Protein*/ORAI1 Protein*/metabolism ; ORAI1 Protein*/ORAI1 Protein*/ORAI1 Protein*/genetics ; ORAI1 Protein*/ORAI1 Protein*/ORAI1 Protein*/chemistry

  • Source: Communications biology [Commun Biol] 2024 Nov 16; Vol. 7 (1), pp. 1522. Date of Electronic Publication: 2024 Nov 16.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Cyclopamine modulates smoothened receptor activity in a binding position dependent manner.

  • Authors : Kim K; Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, IL, 61801, USA.; Bansal PD

Subjects: Veratrum Alkaloids*/Veratrum Alkaloids*/Veratrum Alkaloids*/pharmacology ; Veratrum Alkaloids*/Veratrum Alkaloids*/Veratrum Alkaloids*/metabolism ; Smoothened Receptor*/Smoothened Receptor*/Smoothened Receptor*/metabolism

  • Source: Communications biology [Commun Biol] 2024 Sep 28; Vol. 7 (1), pp. 1207. Date of Electronic Publication: 2024 Sep 28.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD.

  • Authors : D'Arrigo G; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies, Schloss-Wolfsbrunnenweg 35, 69118, Heidelberg, Germany. .; Kokh DB

Subjects: Molecular Dynamics Simulation* ; Mutation*; Proteins/Proteins/Proteins/metabolism

  • Source: Communications biology [Commun Biol] 2024 Sep 17; Vol. 7 (1), pp. 1159. Date of Electronic Publication: 2024 Sep 17.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Nucleosomal DNA unwinding pathway through canonical and non-canonical histone disassembly.

  • Authors : Nozawa H; Department of Biological Sciences, Graduate School of Science, The University of Tokyo, Tokyo, Japan.; Nagae F

Subjects: Nucleosomes*/Nucleosomes*/Nucleosomes*/metabolism ; Nucleosomes*/Nucleosomes*/Nucleosomes*/chemistry ; Nucleosomes*/Nucleosomes*/Nucleosomes*/genetics

  • Source: Communications biology [Commun Biol] 2024 Sep 14; Vol. 7 (1), pp. 1144. Date of Electronic Publication: 2024 Sep 14.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Structural shifts in TolC facilitate Efflux-Mediated β-lactam resistance.

  • Authors : Kantarcioglu I; Faculty of Engineering and Natural Sciences, Sabancı University, Tuzla, Istanbul, Turkey.; Department of Pharmacology, University of Texas Southwestern Medical Center, Dallas, TX, USA.

Subjects: Molecular Dynamics Simulation* ; beta-Lactam Resistance*/beta-Lactam Resistance*/beta-Lactam Resistance*/genetics ; Anti-Bacterial Agents*/Anti-Bacterial Agents*/Anti-Bacterial Agents*/pharmacology

  • Source: Communications biology [Commun Biol] 2024 Aug 26; Vol. 7 (1), pp. 1051. Date of Electronic Publication: 2024 Aug 26.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Unraveling the mechanism of small molecule induced activation of Staphylococcus aureus signal peptidase IB.

  • Authors : Chen SY; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich, 8093, Switzerland.; TUM School of Natural Sciences, Department Biosciences, Theoretical Biophysics (T38), Center for Functional Protein Assemblies (CPA), Technical University Munich (TUM), Ernst-Otto-Fischer Str. 8, Garching, 85748, Germany.

Subjects: Staphylococcus aureus*/Staphylococcus aureus*/Staphylococcus aureus*/enzymology ; Staphylococcus aureus*/Staphylococcus aureus*/Staphylococcus aureus*/drug effects ; Staphylococcus aureus*/Staphylococcus aureus*/Staphylococcus aureus*/genetics

  • Source: Communications biology [Commun Biol] 2024 Jul 24; Vol. 7 (1), pp. 895. Date of Electronic Publication: 2024 Jul 24.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Insights into mechanisms of MALT1 allostery from NMR and AlphaFold dynamic analyses.

  • Authors : Wallerstein J; Department of Chemistry and Molecular Biology, University of Gothenburg, Box 465, SE-40530, Gothenburg, Sweden.; Han X

Subjects: Molecular Dynamics Simulation* ; Mucosa-Associated Lymphoid Tissue Lymphoma Translocation 1 Protein*/Mucosa-Associated Lymphoid Tissue Lymphoma Translocation 1 Protein*/Mucosa-Associated Lymphoid Tissue Lymphoma Translocation 1 Protein*/metabolism ; Mucosa-Associated Lymphoid Tissue Lymphoma Translocation 1 Protein*/Mucosa-Associated Lymphoid Tissue Lymphoma Translocation 1 Protein*/Mucosa-Associated Lymphoid Tissue Lymphoma Translocation 1 Protein*/chemistry

  • Source: Communications biology [Commun Biol] 2024 Jul 16; Vol. 7 (1), pp. 868. Date of Electronic Publication: 2024 Jul 16.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Hub stability in the calcium calmodulin-dependent protein kinase II.

  • Authors : Chien CT; Department of Bioengineering, and Department of Microbiology and Immunology, James H. Clark Center, Stanford University, Stanford, CA, 94305, USA.; Laboratory of Molecular Biology, National Institute of Diabetes and Digestive and Kidney Diseases, National Institute of Health, Bethesda, MD, 20892, USA.

Subjects: Cryoelectron Microscopy* ; Calcium-Calmodulin-Dependent Protein Kinase Type 2*/Calcium-Calmodulin-Dependent Protein Kinase Type 2*/Calcium-Calmodulin-Dependent Protein Kinase Type 2*/metabolism ; Calcium-Calmodulin-Dependent Protein Kinase Type 2*/Calcium-Calmodulin-Dependent Protein Kinase Type 2*/Calcium-Calmodulin-Dependent Protein Kinase Type 2*/chemistry

  • Source: Communications biology [Commun Biol] 2024 Jun 25; Vol. 7 (1), pp. 766. Date of Electronic Publication: 2024 Jun 25.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

The Arabidopsis AtSWEET13 transporter discriminates sugars by selective facial and positional substrate recognition.

  • Authors : Weigle AT; Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL, 61801, USA.; Shukla D

Subjects: Arabidopsis*/Arabidopsis*/Arabidopsis*/metabolism ; Arabidopsis*/Arabidopsis*/Arabidopsis*/genetics ; Arabidopsis Proteins*/Arabidopsis Proteins*/Arabidopsis Proteins*/metabolism

  • Source: Communications biology [Commun Biol] 2024 Jun 24; Vol. 7 (1), pp. 764. Date of Electronic Publication: 2024 Jun 24.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

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  • 1-10 ل  203 نتائج ل ""molecular dynamics simulation""