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molecular dynamics based analyses  (Molecular Dynamics Inc)

 
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    Structured Review

    Molecular Dynamics Inc molecular dynamics based analyses
    <t>Molecular</t> <t>dynamics–based</t> analyses of DPP4 and SGLT2: (a) root mean square fluctuation (RMSF), (b) dynamic cross-correlation matrix (DCCM), and (c) principal component analysis (PCA).
    Molecular Dynamics Based Analyses, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/dynamic/analyses+based+binding+dynamics+molecular/pmc13273563-185-0-0
    Average 86 stars, based on 1 article reviews
    molecular dynamics based analyses - by Bioz Stars, 2026-11
    86/100 stars

    Images

    1) Product Images from "Computational discovery of fenugreek–paitan–turmeric (FPT) bioactive compounds targeting SGLT2 and DPP-4 for glucose homeostasis regulation"

    Article Title: Computational discovery of fenugreek–paitan–turmeric (FPT) bioactive compounds targeting SGLT2 and DPP-4 for glucose homeostasis regulation

    Journal: Journal of Taibah University Medical Sciences

    doi: 10.1016/j.jtumed.2026.05.008

    Molecular dynamics–based analyses of DPP4 and SGLT2: (a) root mean square fluctuation (RMSF), (b) dynamic cross-correlation matrix (DCCM), and (c) principal component analysis (PCA).
    Figure Legend Snippet: Molecular dynamics–based analyses of DPP4 and SGLT2: (a) root mean square fluctuation (RMSF), (b) dynamic cross-correlation matrix (DCCM), and (c) principal component analysis (PCA).

    Techniques Used:

    Related Articles

    Polymerase Chain Reaction:

    Article Title: Nucleotide sequence of the partially deleted D4Z4 locus in a patient with FSHD identifies a putative gene within each 3.3 kb element.
    Article Snippet: Facioscapulohumeral muscular dystrophy (FSHD) is linked to the polymorphic D4Z4 locus on chromosome 4q35.. In nonaffected individuals, this locus comprises 10–100 tandem copies of members of the 3.3 kb dispersed repeat family.. Deletions leaving 1–8 such repeats have been associated with FSHD, for which no candidate gene has been identified.

    Luciferase:

    Article Title: Nucleotide sequence of the partially deleted D4Z4 locus in a patient with FSHD identifies a putative gene within each 3.3 kb element.
    Article Snippet: Facioscapulohumeral muscular dystrophy (FSHD) is linked to the polymorphic D4Z4 locus on chromosome 4q35.. In nonaffected individuals, this locus comprises 10–100 tandem copies of members of the 3.3 kb dispersed repeat family.. Deletions leaving 1–8 such repeats have been associated with FSHD, for which no candidate gene has been identified.

    Article Title: A Streamlined In Vitro mRNA Production Evaluation for mRNA-Based Vaccines and Therapeutics
    Article Snippet: .. Luciferase-based assays have long proven to be a reliable tool for investigating cellular and molecular dynamics [ ]. ..

    Binding Assay:

    Article Title: Structure-guided computational design of high-affinity antibodies enables chemiluminescence immunoassay for C-reactive protein.
    Article Snippet: The development of robust immunoassays depends on high-affinity antibodies; however, rational design strategies remain challenging.. Here, we present a structure-guided computational framework for antibody optimization and demonstrate its application in a clinical-grade chemiluminescence assay for C-reactive protein (CRP).. Based on key topological residues identified from the cryo-EM structure of the CRP–HCAb complex, we rationally designed mutations within the complementarity-determining regions (CDRs).

    Article Title: Repurposed COMT Inhibitors Tolcapone and Entacapone Selectively Suppress Aggregation and Seeding of P301 Mutant TAU in Human Neuronal Models
    Article Snippet: .. Molecular dynamics–based binding analyses (Tables S2–S7) showed average MM-GBSA binding energies across ten replicates that supported more favorable predicted interactions of ENT and TOL with mutant TAU (P301S and P301L) than with WT TAU. ..

    Mutagenesis:

    Article Title: Repurposed COMT Inhibitors Tolcapone and Entacapone Selectively Suppress Aggregation and Seeding of P301 Mutant TAU in Human Neuronal Models
    Article Snippet: .. Molecular dynamics–based binding analyses (Tables S2–S7) showed average MM-GBSA binding energies across ten replicates that supported more favorable predicted interactions of ENT and TOL with mutant TAU (P301S and P301L) than with WT TAU. ..



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    Image Search Results


    a, Time-course analysis of E-cadherin and N-cadherin expression during neural tube formation. E- cadherin was initially broadly distributed but decreased in cells associated with the Matrigel region, whereas N-cadherin expression was initially weak and became apparent in cells on the Matrigel from day 6 onward. By day 10, the initially continuous monolayer had segregated into two distinct tissues corresponding to the surface ectoderm and neural tube. Scale bar, 50 μm. b, Three-dimensional imaging of tissues stained for N-cadherin, E-cadherin and cytokeratin 8. Section A–A′ shows an incompletely closed region, whereas section B–B′ shows a fully closed neural tube. Scale bar, 70 μm. c, Time-lapse imaging of actin dynamics from day 9 of culture (0 h) to day 10 (24 h). White arrows indicate actin-rich structures bridging the opposing tissue edges during closure. Scale bar, 30 μm. d, Myosin II distribution in the cell sheet during neural induction. Myosin II accumulated at the apical side of the cell sheet within the Matrigel-associated region. e, Distribution of SOX10 and ZIC1 before neural tube closure. Both markers were enriched at the boundary region between the neural and non- neural domains.

    Journal: bioRxiv

    Article Title: Engineering developmental transitions during human neurulation through modular integration of multimodal spatial cues

    doi: 10.64898/2026.10.07.757222

    Figure Lengend Snippet: a, Time-course analysis of E-cadherin and N-cadherin expression during neural tube formation. E- cadherin was initially broadly distributed but decreased in cells associated with the Matrigel region, whereas N-cadherin expression was initially weak and became apparent in cells on the Matrigel from day 6 onward. By day 10, the initially continuous monolayer had segregated into two distinct tissues corresponding to the surface ectoderm and neural tube. Scale bar, 50 μm. b, Three-dimensional imaging of tissues stained for N-cadherin, E-cadherin and cytokeratin 8. Section A–A′ shows an incompletely closed region, whereas section B–B′ shows a fully closed neural tube. Scale bar, 70 μm. c, Time-lapse imaging of actin dynamics from day 9 of culture (0 h) to day 10 (24 h). White arrows indicate actin-rich structures bridging the opposing tissue edges during closure. Scale bar, 30 μm. d, Myosin II distribution in the cell sheet during neural induction. Myosin II accumulated at the apical side of the cell sheet within the Matrigel-associated region. e, Distribution of SOX10 and ZIC1 before neural tube closure. Both markers were enriched at the boundary region between the neural and non- neural domains.

    Article Snippet: and Supplementary Video 4 show two-photon time-lapse imaging from day 9 to day 10, allowing visualization of actin dynamics by using SPY-actin (CY-SC202, Cytoskeleton Inc.) during surface ectoderm closure.

    Techniques: Analysis, Expressing, Imaging, Staining, Tissue