Sentence examples for molecular dynamic analysis from inspiring English sources

Molecular dynamic analysis of those interactions will allow the modification of the 3D computer models obtaining virtual structures tailored to individual patients [16 18].

This paper serves as the first attempt to detect GPI 14 gene in L. major supported with modeling and molecular dynamic analysis of complete three dimensional structure of GPI 14.

In agreement with this idea, atomic force microscopy (AFM) in lipid environments and molecular dynamic analysis have shown the presence of molecular entities with inner diameters in the 1.5 2.6 nm range [10], [11] which were similar to those generated by other peptidergic molecules known to form pores in cell membranes, such as amylin and α-synuclein [12].

In addition, unfolding of these helices was slower than peptide 11438 according to molecular dynamic analysis.

This resulted in the design of analog peptides 33208 and 33210 displaying an α-helix more stable than peptide 11438 as predicted by using AGADIR and molecular dynamic analysis and determined by CD analysis.

Although this region is also present in peptide 11438, it could be buried by turn formation and hydrophobic interaction with C-terminal region according to the molecular dynamic analysis.

10.7554/eLife.06359.008 Figure 3. Alternative conformations and molecular dynamic simulations analysis of the fingers/palm subdomains.

Details of molecular dynamic (MD) simulation analysis were the same as those described previously (Wang et al., 2013; Chen et al., 2012).

This perspective emphasizes the critical value of dynamic analysis of molecular expression in single cells for understanding cell fate decisions [ 14, 15].

To explore the mechanism of TRIS-based separation of 1-propanol/2-propanol from their aqueous solutions, the interactions between different pairs of molecules were also investigated by using fluorescence analysis and Molecular Dynamic (MD) simulation.

Nanomechanical experiments on 1-D and 2-D materials are typically conducted at quasi-static strain rates of 10−4/s, while their analysis using molecular dynamic (MD) simulations are conducted at ultra-high strain rates of 106/s and above.