Sentence examples for molecular simulation methodology from inspiring English sources
We review the basis of the molecular simulation methodology and give applications of relevance to the skin lipid barrier, focusing on permeation of molecules and chemical approaches for breaching the lipid barrier by design.
A novel molecular dynamics (MD) simulation methodology to capture brittle fracture in epoxy-based thermoset polymer under mechanical loading is presented.
The mutually corroborated density functional theory (DFT) and molecular dynamics (MD) simulation methodology were employed to evaluate the inhibition performance of three thiourea derivatives (Inh1, Inh2, and Inh3) on carbon steel corrosion.
Significant progress in molecular dynamics (MD) simulation methodologies applied to lipid bilayer membranes, for example, is making it possible to move beyond characterization of the membranes themselves to explore various thermodynamic and kinetic processes governing membrane binding and transport.
We have applied an atomistic simulation methodology based on molecular dynamics to study grain boundary migration in crystalline materials, driven by the excess energy of dislocation arrangements.
The first section consists of four chapters that describe strategies for multi-scale quantum models and present an overview of the current state-of-the-art molecular modelling methodologies most relevant to handling these complex systems with quantum mechanics and molecular simulation.
For this work, we used this simulation methodology to analyze the dynamics of a specific biochemical interaction network, which was constructed to investigate early molecular events surrounding hepatocellular proliferation.
A molecular simulation study of hydration in heterogeneous nanopores.
The final concern companies expressed, regarding touch, highlights a broader issue for simulation methodology.
Educated at Yale, he talked about simulation methodology efficacy rather than the consequence of a hit-and-run.
Introduction to molecular simulation, solid-state physics and electrokinetic phenomena.
