Sentence examples for molecular modelling using from inspiring English sources

The I2 binding domain on B-CK was predicted by molecular modelling using the SiteFinder option within MOE.

A possible binding mode was investigated by molecular modelling, using the available crystal structure of sGCcat (pdb code 3uvj).

An alternative model of FXR1P Nt-KH1 was reconstructed by molecular modelling using the NMR structure of FMRP NDF (PDB number 2BKD) and the crystal structure of FMRP KH1 (PDB number 2QND).

Therefore, we have determined some parameters of three cationic surfactants by molecular modeling, using the CHEM 3D bio.

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.

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.

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.

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).