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  • 1-10 ل  142 نتائج ل ""molecular dynamics simulation""

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Collection : Plos Publications (Via Crossref)
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Academic Journal

Mechanism of Radix Bupleuri and Hedysarum Multijugum Maxim drug pairs on liver fibrosis based on network pharmacology, bioinformatics and molecular dynamics simulation

  • Source: PLOS ONE ; volume 20, issue 1, page e0318336 ; ISSN 1932-6203

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Academic Journal

Discovery of novel TACE inhibitors using graph convolutional network, molecular docking, molecular dynamics simulation, and Biological evaluation

  • Source: PLOS ONE ; volume 19, issue 12, page e0315245 ; ISSN 1932-6203

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Academic Journal

Exploring the most promising anti ‐ Depressant drug targeting Microtubule Affinity Receptor Kinase 4 involved in Alzheimer’s Disease through molecular docking and molecular dynamics simulation

  • Source: PLOS ONE ; volume 19, issue 7, page e0301179 ; ISSN 1932-6203

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Academic Journal

IsRNAcirc: 3D structure prediction of circular RNAs based on coarse-grained molecular dynamics simulation

  • Source: PLOS Computational Biology ; volume 20, issue 10, page e1012293 ; ISSN 1553-7358

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Academic Journal

Identification of potent inhibitors of HDAC2 from herbal products for the treatment of colon cancer: Molecular docking, molecular dynamics simulation, MM/GBSA calculations, DFT studies, and pharmacokinetic analysis

  • Source: PLOS ONE ; volume 19, issue 7, page e0307501 ; ISSN 1932-6203

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Academic Journal

The molecular interaction of six single-stranded DNA aptamers to cardiac troponin I revealed by docking and molecular dynamics simulation

  • Source: PLOS ONE ; volume 19, issue 5, page e0302475 ; ISSN 1932-6203

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Academic Journal

Comprehensive characterization of coding and non-coding single nucleotide polymorphisms of the Myoneurin (MYNN) gene using molecular dynamics simulation and docking approaches

  • Source: PLOS ONE ; volume 19, issue 1, page e0296361 ; ISSN 1932-6203

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Academic Journal

Discovery of novel RARα agonists using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulation studies

  • Source: PLOS ONE ; volume 18, issue 8, page e0289046 ; ISSN 1932-6203

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Academic Journal

Novel in-frame duplication variant characterization in late infantile metachromatic leukodystrophy using whole-exome sequencing and molecular dynamics simulation

  • Source: PLOS ONE ; volume 18, issue 2, page e0282304 ; ISSN 1932-6203

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Academic Journal

Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies

  • Source: PLOS ONE ; volume 18, issue 12, page e0295741 ; ISSN 1932-6203

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  • 1-10 ل  142 نتائج ل ""molecular dynamics simulation""