Results 31 to 40 of about 23,462 (281)
A Modified Embedded Atom Method (MEAM) Interatomic Potential for the Fe-C-H System
, 2022 We develop an Fe-C-H interatomic potential based on the modified embedded-atom method (MEAM) formalism based on density functional theory to enable large-scale modular dynamics simulations of carbon steel and ...
Huddleston, Bradley +6 more
core
Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
FEBS Letters, EarlyView.A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
wiley +1 more source
African Scientific ReportsThe phonon dispersion curve of four bcc transition metals—(fe), (W), (Mo), and (Cr)—along the principal symmetry [1,0,0], [1,1,1], and [1,1,0] of the Brillouin Zone (BZ) up to the second nearest neighbors is reproduced using the modified analytical ...
Akpata Erhieyovwe +2 more
doaj +1 more source
FEBS Letters, EarlyView.The physical dimensions and shape of bacterial cells define the surface area available to acquire nutrients and the volume available for synthesizing proteins and DNA. Here, we use computational systems biology to decode the importance of cell geometry as a major determinant of prokaryotic phenotype, including growth rate and metabolic efficiency. This
Ross P. Carlson +6 more
wiley +1 more source
A Modified Embedded-Atom Method Interatomic Potential for the Mg–Mn Binary System
, 2022 Magnesium, the lightest structural metal, needs to improve its strength and formability at room temperature for commercialization. Manganese is an alloying element that can improve the strength of magnesium through forming intermetallic compounds ...
LEE, BYEONG JOO, Hyo-Sun Jang
core +1 more source
FEBS Letters, EarlyView.We present robust protocols for the preparation of supported lipid bilayers (SLBs) incorporating either Salmonella smooth LPS or outer membrane vesicles (OMVs). We use a combination of quartz crystal microbalance with dissipation (QCM‐D) and fluorescence microscopy to both characterize the SLBs of various compositions and to probe their interactions ...
Hudson P. Pace +6 more
wiley +1 more source
Study of the doping effect on mechanical properties and thermal stability of Ni3Al−Cr alloy by molecular dynamic simulation [PDF]
E3S Web of ConferencesAtomic-scale structural analysis has clearly demonstrated the important role of nickel-based materials in providing cohesion. In this paper, we present a theoretical study of pure Ni3Al doped with various percentages of chrome (Cr), and we conducted ...
Mjidila Hanae +4 more
doaj +1 more source
, 2015 We compare six lithium potentials by examining their ability to predict coexistence properties and liquid structure using molecular dynamics. All potentials are of the embedded-atom method type.
Joseph R. Vella (1470574) +3 more
core +1 more source
A Modified Embedded-Atom Potential for Fe-Cr-Si Alloys
, 2021 We developed a modified embedded atom method (MEAM) potential for Fe-Cr-Si ternary systems. These alloys have superior corrosion and crack resistance, making them candidate materials for several engineering applications such as accident-tolerant fuel ...
Shiddartha Paul (6847112) +4 more
core +2 more sources
Molecular Oncology, EarlyView.Loss of the miR‐214/199a cluster is associated with recurrence in ovarian cancer. Engineered small extracellular vesicles (m214‐sEVs) elevate miR‐214‐3p/miR‐199a‐5p in tumor cells, suppress β‐catenin, TLR4, and YKT6 signaling, reprogram tumor‐derived sEV cargo, reduce chemoresistance and migration, and enhance carboplatin efficacy and survival in ...
Weida Wang +12 more
wiley +1 more source