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Inhibitory effect of saffron components on hIAPP fibrils formation; a molecular dynamics simulation study
Elsevier | 2024|Keywords: Molecular dynamics -
Molecular dynamics simulations reveal the parallel stranded d(GGGA)3GGG DNA quadruplex folds via multiple paths from a coil-like ensemble
Elsevier | 2024|Keywords: Molecular dynamics -
Molecular dynamics simulation guided analysis of the interaction between delafloxacin and Staphylococcus aureus gyrase mutants
Taylor & Francis Verlag | 2024|Keywords: Molecular dynamics -
Nuclear Quantum Effects Accelerate Charge Recombination but Boost the Stability of Inorganic Perovskites in Mild Humidity
American Chemical Society | 2024|Keywords: non-adiabatic molecular dynamics, ring polymer molecular dynamics -
Molecular Simulations and Computational Chemistry of Peptide Self‐assembly
Wiley | 2024|Keywords: molecular dynamics, replica‐exchanged molecular dynamics, nonequilibrium molecular dynamics -
Corrosion inhibition performance and mechanism of nitrogen-containing organic compounds on copper in an alkaline slurry
Elsevier | 2024|Keywords: Molecular dynamics -
Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone
Wiley | 2024|Keywords: molecular dynamics -
Protective action of water-soluble fullerene adducts on the example of an adduct with l-arginine
Elsevier | 2024|Keywords: Molecular Dynamics -
Applicability of Kroon network theory for biaxial mechanics in rubber through multiscale approach
Elsevier | 2024|Keywords: Molecular dynamics -
Effect of nano-impurity on liquid/solid phase transition of water droplet
Elsevier | 2024|Keywords: Molecular dynamics -
13C NMR as an analytical tool for the detection of carbonic acid and pKa determination
Wiley | 2024|Keywords: ab initio molecular dynamics, Car–Parrinello molecular dynamics -
Effect of Gemini surfactant on wettability of Lignite: An experimental and molecular dynamics simulation study
Elsevier | 2024|Keywords: Molecular dynamics simulation -
Molecular dynamics simulations of primary cascade damage in FeCoCrNiCu high-entropy alloys
Elsevier | 2024|Keywords: Molecular dynamics simulation -
Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate
Elsevier | 2024|Keywords: molecular dynamics -
Surface chemistry of degraded polyethylene terephthalate (PET): Insights from reactive molecular dynamics study
Elsevier | 2024|Keywords: Molecular dynamics -
Viscoelasticity and self-healing property of dynamic covalent polymers: A molecular dynamics simulation
Elsevier | 2024|Keywords: Molecular dynamics simulation -
Study on the control of electrowetting and permeation of ionic liquids on porous substrates via molecular dynamics simulations
Elsevier | 2024|Keywords: Molecular dynamics -
Dependence between glass transition and plasticity in amorphous aluminum oxide: A molecular dynamics study
Elsevier | 2024|Keywords: Molecular dynamics simulations -
Role for Carboxylic Acid Moiety in NSAIDs: Favoring the Binding at Site II of Bovine Serum Albumin
American Chemical Society | 2024|Keywords: molecular dynamics
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