Results 71 to 80 of about 1,994,057 (402)
Mechanics of Particle‐ and Fiber‐Reinforced Polymer Nanocomposites, 2014 Theory I: Solving Newtons Laws for collection of particles ........................................................ 1 Figure 1: Diagram defining particle-particle interaction variables. ................................................
G. Ciccotti +2 more
semanticscholar +1 more source
, 2017 A multi-scale framework was recently proposed for more realistic molecular dynamics simulations in continuum solvent models by coupling a molecular mechanics treatment of solute with a fluid mechanics treatment of solvent, where we formulated the ...
Luo, Ray, Xiao, Li
core +1 more source
Molecular dynamics simulations of membrane proteins [PDF]
Biophysical Reviews, 2012 Membrane proteins control the traffic across cell membranes and thereby play an essential role in cell function from transport of various solutes to immune response via molecular recognition. Because it is very difficult to determine the structures of membrane proteins experimentally, computational methods have been increasingly used to study their ...
Baştuğ, Turgut, Kuyucak, Serdar
openaire +5 more sources
RhoA and Rac1 as Mechanotransduction Mediators in Colorectal Cancer
Advanced Biology, EarlyView.Analysing RhoA and Rac1 protein levels in Colorectal cancer (CRC) samples under mechanical strain highlights their potential as diagnostic markers. Monitoring their activity could offer valuable insights into how cancer spreads, paving the way for new approaches to better understand and diagnose colorectal cancer.
Sharda Yadav +5 more
wiley +1 more source
Molecular Dynamics Simulation of Lipid Nanoparticles Encapsulating mRNA. [PDF]
MoleculesmRNA vaccines have shown great potential in responding to emerging infectious diseases, with their efficacy and stability largely dependent on the delivery vehicles—lipid nanoparticles (LNPs).
Zhang Z +8 more
europepmc +2 more sources
Path-integral molecular dynamics simulation of 3C-SiC
, 2008 Molecular dynamics simulations of 3C-SiC have been performed as a function of pressure and temperature. These simulations treat both electrons and atomic nuclei by quantum mechanical methods. While the electronic structure of the solid is described by an
Carlos P. Herrero +10 more
core +1 more source
Advanced Engineering Materials, EarlyView.The study presents an efficient simulation approach for the polymer laser powder bed fusion process polymers process, validated with polyamide 12, polyamide 6, and polyetherketoneketone. It shows that inter layer time affects part density, with 90s yielding dense parts.
Claas Bierwisch +4 more
wiley +1 more source
International Journal of Nanomedicine, 2015 Hsin-Chieh Tang,1 Yu-Chian Chen1–3 1Department of Biomedical Informatics, Asia University, Taichung, Taiwan; 2Human Genetic Center, Department of Medical Research, 3Research Center for Chinese Medicine and Acupuncture, China Medical University ...
Tang HC, Chen YC
doaj
Efficient numerical simulation of granular matter using the Bottom-To-Top Reconstruction method
, 2006 The numerical simulation of granular systems of even moderate size is a challenging computational problem. In most investigations, either Molecular Dynamics or Event-driven Molecular Dynamics is applied.
Poeschel, Thorsten, Schwager, Thomas
core +1 more source