molecular-dynamics

Documents about molecular-dynamics

• Photo-induced dynamics in bromoform molecules studied by femtosecond XUV transient absorption spectroscopy#619938eScholarship
• The photolyase/cryptochrome family of proteins as DNA repair enzymes and transcriptional repressors#955195Koc University Digital Collections
• Variations of the Mycobacterium abscessus F-ATP synthase subunit a-c interface alter binding and potency of the anti-TB drug bedaquiline#190016NTU Digital Repository
• Hydrogen peroxide coordinates axon-Schwann cell signaling to regulate CXCR4 dynamics during nerve regeneration#457885Research Data Unipd
• Tipping the scale from disorder to alpha-helix: folding of amphiphilic peptides in the presence of macroscopic and molecular interfaces#954782Koc University Digital Collections
• Viscosity of {xCO₂+(1−x)CH₄} with x=0.5174 for temperatures between (229 and 348)K and pressures between (1 and 32)MPa#172936HAL (France)
• Analysis of estrogen receptor alpha expression dynamics and its association with HuR under transcriptional stress#439630OpenMETU
• Nanoparticle microstructures templated by liquid crystal phase-transition dynamics#614712eScholarship
• Mechanistic Basis of Bifunctional Oxidation by a Non-Heme Fe(II)/2-Oxoglutarate-Dependent Enzyme CcTET toward N6-Methyladenine and 5-Methylcytosine in Double-Stranded DNA#669042Digital Commons @ Michigan Tech
• Multiscale Interpretable Deep-Learning Framework for the Identification and Visualization of Deformation Stages in Molecular Dynamics Trajectory#1015798Figshare
• Benzimidazole-Derived B2 as a Fluorescent Probe for Bacterial Outer Membrane Vesicle (OMV) Labeling: Integrating DFT, Molecular Dynamics, Flow Cytometry, and Confocal Microscopy#289372Repositorio UNAB
• Computational design of new peptide inhibitors for amyloid beta (A beta) aggregation in Alzheimer's disease: application of a novel methodology#954604Koc University Digital Collections
• Hadronic expansion dynamics in central Pb+Pb collisions at 158 GeV per nucleon#612221eScholarship
• Molecular Motors Orchestrate Pause-and-Run Dynamics to Facilitate Intracellular Transport#612228eScholarship
• Computational screening of metal-organic frameworks for membrane-based CO2/N-2/H2O separations: best materials for flue gas separation#955336Koc University Digital Collections
• Reactivity of Na₂CO₃ with mineral constituents in Zhundong coal ash and its influence on the slagging process: Experiments and molecular dynamics simulation#464143Figshare
• Langmuir method data, BAM images, GIXD, XRR and MD data for the investigation of the effect of ipratropium bromide on the interfacial organization of model lung surfactant membranes.#363675Dane Badawcze UW Dataverse OAI Archive
• Coarse-Grained Molecular Dynamics Simulation for Detailed Characterization of Interfacial Interactions within Natural Rubber–Lignin Composites and the Effects of Key Affecting Factors#363818Figshare
• Coarse-Grained Molecular Dynamics Simulation for Detailed Characterization of Interfacial Interactions within Natural Rubber–Lignin Composites and the Effects of Key Affecting Factors#363819Figshare
• Coarse-Grained Molecular Dynamics Simulation for Detailed Characterization of Interfacial Interactions within Natural Rubber–Lignin Composites and the Effects of Key Affecting Factors#363820Figshare
• Primary defect production from molecular dynamics simulations of high-energy displacement cascades in NbMoTaW alloys#609447eScholarship
• Rotational coherence dominates early-time dynamics and produces long-time revivals in the S2 state of azulene#620086eScholarship
• Molecular Dynamics Simulation Study of the Early Stages of Nucleation of Iron Oxyhydroxide Nanoparticles in Aqueous Solutions#814711eScholarship
• Study of the p–p–K+ and p–p–K- dynamics using the femtoscopy technique#983422eScholarship
• Multiscale mechanistic design of hydrophobic natural DES for PFAS extraction: from quantum chemistry to high-throughput screening#654532Repositorio Institucional de la Universidad de Burgos (RIUBU)