Results 31 to 40 of about 603,627 (298)
Modified beam theories for bending properties of nanowires considering surface/intrinsic effects and axial extension effect [PDF]
, 2012 Several studies of the surface effect on bending properties of a nanowire (NW) have been conducted. However, these analyses are mainly based on theoretical predictions, and there is seldom integration study in combination between theoretical predictions ...
Gu, YuanTong, Zhan, Haifei
core +2 more sources
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
doaj +1 more source
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
Wang-Landau molecular dynamics technique to search for low-energy conformational space of proteins
, 2007 Multicanonical molecular dynamics (MD) is a powerful technique for sampling conformations on rugged potential surfaces such as protein. However, it is notoriously difficult to estimate the multicanonical temperature effectively. Wang and Landau developed
Akira R. Kinjo +7 more
core +1 more source
Molecular dynamics simulation: a tool for exploration and discovery using simple models [PDF]
, 2014 Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome is not always
Rapaport, D. C.
core +1 more source
Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions
FEBS Letters, EarlyView.We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva +10 more
wiley +1 more source
, 2010 Molecular dynamics (MD) simulation with modified Brenner's reactive empirical bond order (REBO) potential is a powerful tool to investigate plasma wall interaction on divertor plates in a nuclear fusion device.
Arimichi Takayama +14 more
core +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.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
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
doaj +1 more source