Results 31 to 40 of about 6,542,741 (296)
Journal of Molecular Modeling, 2021 Functionalization of graphene is the best way to create a high degree of dispersion and bonding to polymer matrix in order to obtain high performance composites. The effects of carboxyl (−COOH) functionalized graphene (FG) on the mechanical properties of
Aman Yadav, Ashok Kumar, K. Sharma
semanticscholar +1 more source
Friction between Iron and Partially Frozen Graphite Nanoparticles
Tribology Online, 2023 This study uses the molecular dynamics simulations to investigate the friction between the iron plate sliding against the partially frozen graphite nanoparticle. The graphite nanoparticle is divided into the two parts along the normal direction: the part
Le Van Sang
doaj +1 more source
Jurnal Riset Kimia, 2021 Zika virus caused of the emerging infections characterized by fever, Guillain-Barré syndrome (GBS) for adults. In the current work, we aimed to study the binding orientation of 1,5-benzothiazepine compounds as new potential agent against Zika virus ...
Neni Frimayanti +2 more
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Journal of the Taiwan Institute of Chemical Engineers / Elsevier, 2020 Highlights • DM drug was introduced as a novel corrosion inhibitor.• Polarization measurements signify that DM drug acted as a mixed mode inhibitor.• Adsorption mode best reflect in Langmuir isotherm.• MD-simulation reveals the vital role of active sites
V. Anadebe +5 more
semanticscholar +1 more source
An Overview of Molecular Dynamic Simulation for Corrosion Inhibition of Ferrous Metals
Metals, 2020 Molecular dynamics (MD) simulation is a powerful tool to study the molecular level working mechanism of corrosion inhibitors in mitigating corrosion. In the past decades, MD simulation has emerged as an instrument to investigate the interactions at the ...
Nur Izzah Nabilah Haris +3 more
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Effect of lubricants on the rotational transmission between solid-state gears
Beilstein Journal of Nanotechnology, 2022 Lubricants are widely used in macroscopic mechanical systems to reduce friction and wear. However, on the microscopic scale, it is not clear to what extent lubricants are beneficial.
Huang-Hsiang Lin +4 more
doaj +1 more source
Relaxation of Phonons in Classical MD Simulation
Journal of Thermal Science and Technology, 2008 We propose a novel technique of molecular dynamics simulation to evaluate the relaxation time of phonons in solids for investigation of solid heat conductivity.
Mitsuhiro MATSUMOTO +2 more
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FEBS Letters, EarlyView.The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li +2 more
wiley +1 more source
StandsSIM-MD: a Management Driven forest SIMulator
Forest Systems, 2016 Aim of the study: The existing stand level forest simulators available in Portugal were not developed with the aim of including up-to-date model versions and were limited in terms of accounting for forest management. The simulators’ platform, sIMfLOR was recently created to implement different growth models with a common philosophy.
Susana Barreiro +2 more
openaire +6 more sources
FEBS Letters, EarlyView.In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai +9 more
wiley +1 more source