Sentence examples for molecular modeling using from inspiring English sources
Therefore, we have determined some parameters of three cationic surfactants by molecular modeling, using the CHEM 3D bio.
The molecular modeling using DFT method are drawn showing the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all title compounds.
Molecular modeling using the Site-Identification by Ligand Competitive Saturation (SILCS) approach was used to qualitatively direct ligand design as well as develop quantitative models for inhibitor binding affinity to Mcl-1 and the Bcl-2 relative Bcl-xL as well as for the specificity of binding to the two proteins.
To address this issue, the patterns of p524, p530, p509 bound to I-Ag7 were determined by molecular modeling using the structural framework of GAD peptide p207 (GAD207–220) bound to I-Ag7 [49].
We performed molecular modeling using the CS ChemOffice 2005 software package (CambridgeSoft Corp., Cambridge, MA).
Analogues 70– 73 and their derivatives were further explored by docking and comparative molecular modeling using the X-ray structure of 69 bound to T. cruzi CYP51.
Barrett, Stull, Hsu, and Hegarty (2015) designed an application that allowed users to manipulate a virtual molecular model using a haptic input device.
The determination of protein copy numbers and membrane densities on pancreatic ZGs represents a significant advance towards building a comprehensive molecular model, using quantitative proteomics approaches, for any given subcellular organelle.
To rationalize these observations, we translated the distance information into molecular models using the biomolecular docking program, HADDOCK [20], [21].
The variation between each patient sequence population to subtype A and subtype D populations were calculated using MEGA 4.0 (Figure 4A) and the Tamura 3-parameter molecular model using 1000 bootstrap replicates.
In conclusion, the present study constructed a molecular model using logistic regression analysis for distinguishing between WDHCC and HGDN.
