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Synonyme wurden verwendet für: Molecular dynamics • dynamics
Suche ohne Synonyme: keywords:(Molecular dynamics)
Verwendete Synonyme:
- md simulation
- molekularbewegung
- molekulardynamik
- molekulardynamikmethode
- molekulardynamische berechnung
- molekulardynamische computersimulation
- molekulardynamische simulation
- molekulare dynamik
- molekulbewegung
- molekuldynamik
Verwendete Synonyme:
- dynamik
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The potential of phytochemicals against epidermal growth factor receptor tyrosine kinase (EGFRK): an insight from molecular dynamic simulations
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Highly efficient antifouling and toughening hydrogel for ship coatings
Elsevier | 2024|Schlagwörter: MD simulation -
Probing the toxic effect of chlorpyrifos as an environmental pollutant on the structure and biological activity of lysozyme under physiological conditions
Elsevier | 2024|Schlagwörter: MD simulation -
Experimental study and modeling of the wettability of fluorine graphene. Corrosion behavior of the fluorine graphene layer on a copper substrate
Elsevier | 2024|Schlagwörter: MD simulation -
‘Computational studies on coumestrol-ArlR interaction to target ArlRS signaling cascade involved in MRSA virulence’
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
Quality Control of Coumarins, Furocoumarins and Polymethoxyflavones in Citrus Essential Oils: In Silico Analysis
Wiley | 2024|Schlagwörter: Molecular Docking, MD simulation -
Reverse osmosis membrane containing hydrazine as architecture unit
Elsevier | 2024|Schlagwörter: MD simulation -
The growth mechanism of Co atoms on Cu substrates
IOP Institute of Physics | 2024|Schlagwörter: MD simulation -
Virtual screening of the natural antifoulants: In silico approach to screen lichen metabolites against marine biofoulers
Wiley | 2024|Schlagwörter: MD simulation, molecular docking -
Influence of the metal coating on nano-cutting process of cubic silicon carbide
SAGE Publications | 2024|Schlagwörter: MD simulation -
Effect of azobenzene composition ratio on the degree of photosoftening: Experimental and molecular dynamics simulation studies
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Nanostructure and damage characterisation of bitumen under a low cycle strain-controlled fatigue load based on molecular simulations and rheological measurements
Elsevier | 2024|Schlagwörter: MD simulation -
Synthesis, biological application, and computational study of a thymol-based molecule
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation, molecular docking -
Pharmacophore-based computational study on inhibitor of TMPRSS6 as hepcidin modulator in an iron overload of beta-thalassaemia
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
Elucidation of conserved multi-epitope vaccine against Leishmania donovani using reverse vaccinology
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Role of death-associated protein kinase 1 (DAPK1) in retinal degenerative diseases: an in-silico approach towards therapeutic intervention
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Intermolecular interaction study of Favipiravir -Uracil biomolecular complex using vibrational spectroscopic techniques and computational methods
Elsevier | 2024|Schlagwörter: MD simulation -
In silico molecular study of hepatitis B virus X protein as a therapeutic target
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
Insights into the dynamic interactions of RNase a and osmolytes through computational approaches
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Dynamic Insights into the Growth Mechanisms of 2D Covalent Organic Frameworks on Graphene Surfaces
American Chemical Society | 2024|Schlagwörter: MD simulation -
Using molecular dynamics approach to investigate the effect of copper nanoparticles on the thermal behavior of the ammonia/copper coolant by focusing on aggregation time
Elsevier | 2024|Schlagwörter: MD simulation -
Adsorption mechanism of alkylphenol ethoxylates surfactants (APEO) on anthracite surface: A combined experimental, DFT and molecular dynamics study
Elsevier | 2024|Schlagwörter: MD simulation -
Molecular modeling and biological investigation of novel s-triazine linked benzothiazole and coumarin hybrids as antimicrobial and antimycobacterial agents
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Amino acid motif intercalated in an inorganic layered phosphate container for improved steel protection: Experimental and computational evaluation
Elsevier | 2024|Schlagwörter: MD simulation -
Identification of novel TACE inhibitors using DNN based- virtual screening, molecular dynamics and biological evaluation
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Thermodynamic and functional changes of alpha-chymotrypsin after interaction with gallic acid
Elsevier | 2024|Schlagwörter: Molecular interaction, MD simulation -
New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
High-efficient helium purification through a novel Si-PWN zeolite membrane: Insights from molecular simulations
Elsevier | 2024|Schlagwörter: MD simulation -
Structural insights into the mechanism of resistance to bicalutamide by the clinical mutations in androgen receptor in chemo-treatment resistant prostate cancer
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Machine learning-based drug design for identification of thymidylate kinase inhibitors as a potential anti-Mycobacterium tuberculosis
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
Comprehensive computational insights on the conformations, electronic properties and binding mechanism of mescaline: A hallucinogenic molecule
Elsevier | 2024|Schlagwörter: MD simulation -
Pool boiling simulation using molecular dynamics approach: Comparing the effectiveness of adding nanoparticles versus creating porous nanostructures
SAGE Publications | 2024|Schlagwörter: MD simulation -
Exploring the structural assembly of rice ADP-glucose pyrophosphorylase subunits using MD simulation
Elsevier | 2024|Schlagwörter: MD simulation -
Optically Responsive Glutathione-Decorated Gold Nanoclusters for the Detection of Cytosine and 5‑Methylcytosine Revealed by Multiscale Simulation
American Chemical Society | 2024|Schlagwörter: MD simulation -
New insight into the mechanism of biofouling-resistant thiazole-linked covalent organic frameworks for selective uranium capture from seawater
Elsevier | 2024|Schlagwörter: MD simulation -
The interaction of AOT reverse micelles with Au-PEI nanocluster in hexane: A molecular dynamics study
Elsevier | 2024|Schlagwörter: MD simulation -
In silico study of inhibition activity of boceprevir drug against 2019-nCoV main protease
DeGruyter | 2024|Schlagwörter: molecular docking, MD simulation -
QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
Computational assessment of the reactivity and pharmaceutical potential of novel triazole derivatives: An approach combining DFT calculations, molecular dynamics simulations, and molecular docking
Freier ZugriffDOAJ | 2024|Schlagwörter: MD simulation -
Antimicrobial potential of phytocompounds of Acorus calamus: in silico approach
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, toxicity and MD simulation -
Identification of structural fingerprints among natural inhibitors of HDAC1 to accelerate nature-inspired drug discovery in cancer epigenetics
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
In silico-based screening of natural products as potential inhibitors of SARS-CoV-2 macrodomain 1
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
In silico analysis of the different variable domain oriented single-chain variable fragment antibody-antigen complexes
Taylor & Francis Verlag | 2024|Schlagwörter: MD simulation -
In silico and structure‐based evaluation of deleterious mutations identified in human Chk1, Chk2, and Wee1 protein kinase
Wiley | 2024|Schlagwörter: MD simulation -
Protein O‑Fucosyltransferase Is Required for the Efficient Invasion of Hepatocytes by Plasmodium berghei Sporozoites
American Chemical Society | 2024|Schlagwörter: MD simulation -
Phytocompounds screening of Nigella sativa in terms of human cancer by targeting sphingosine kinase-1 and pyruvate kinase-M2: a study based on in silico analysis
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
Computational screening of natural MtbDXR inhibitors for novel anti-tuberculosis compound discovery
Taylor & Francis Verlag | 2024|Schlagwörter: molecular docking, MD simulation -
The efficacy of Linum usitatissimum seeds to inhibit estrogen receptor as a natural therapy for PCOS: An in silico and in vitro analysis
Wiley | 2024|Schlagwörter: MD simulation, molecular docking -
Rapid Long-distance Migration of RPA on Single Stranded DNA Occurs Through Intersegmental Transfer Utilizing Multivalent Interactions
Elsevier | 2024|Schlagwörter: MD simulation
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