Sentence examples for molecular dynamics process from inspiring English sources
The monomers giving the highest binding energy were selected and used in a simulated annealing (molecular dynamics) process to investigate their interaction with the template acetamide in the presence of CO2 as the porogen.
BPP_1 has the highest binding energy compared to the other BPP derivatives to the copper surface that are found during the molecular dynamics simulation process described elsewhere [83].
Molecular Dynamics: In this step the actual molecular dynamics simulation process is performed through the Gromacs command 'mdrun'.
Our GUI features a novel workflow interface that guides the user through each logical step of the molecular dynamics setup process, making it accessible to both advanced and novice users.
Despite the importance of Poisson's ratio in materials science and engineering, its connection to molecular dynamics and relaxation processes in glass-forming systems remains unclear.
He studies the chemistry of water, and molecular dynamics of biophysical processes such as protein folding and DNA hybridization.
The three-dimensional structures of AuXyn11A, AEXynM, and EvXyn11TS were homologically modeled, and subjected to molecular dynamics (MD) simulation processes, followed by calculating their root mean square deviation (RMSD) values, respectively.
Experimental evidence has also been found, showing the influence of the glass-like properties of the bacterial cytoplasm in the molecular dynamics of intracellular processes (Parry et al., 2014).
We have investigated this conformational maturation using NMR studies of methyl-labeled RT for the slower processes in combination with molecular dynamics simulations for rapid processes.
While it is problematic to devise an experimental system suitable to monitor the dynamics of Ca2+ on a protein, one can use molecular dynamics to simulate the process and gain insights on the mechanism of the process.
Shibuta, Y. & Maruyama, S. Molecular dynamics simulation of generation process of SWNTs.
