Sentence examples for by computational modelling using from inspiring English sources

We subsequently explored further the binding site of the two CXCR3 antagonists by computational modelling using ab initio derived structures of CXCR3 (Vaidehi et al., 2009) docked with either VUF 10085 or TAK-779.

A badge filter system was designed by practical irradiation experiments supported by computational modeling using Monte Carlo simulation.

These selected sites were then substituted with other amino acids that were determined to be more rigid than the original amino acids by computational modeling using 'RosettaDesign'.

The performance observed was supported by computational modeling using density functional theory (DFT), where infra-red (IR) band shifts were calculated for the polymer surrogates in hydrated forms.

The Kd values can be directly determined experimentally, or derived indirectly from the octanol-water partition coefficients (Kow) or by computational modeling using free energy calculations.

We also tested the possible interaction between TG2 and resveratrol by computational modeling using different approaches.

The model was validated by comparison with two computational models using the commercial finite element software ABAQUS and by experimental rolling resistance data.

This study seeks to optimize the parameters of the system by computational simulation using a combination of numerical models for the system's various components: Monte-Carlo simulation for radiation transport, 3D optical point-spread function for the microscope, and stochastic photosensor model for the electron multiplying charge coupled device (EMCCD) camera.

a, Model layout of the hybrid rat-human computational model used to tune the human neural network weights.

It is possible to understand the protein function by computational modeling of a target protein using its proper template.

The cross-links between proteins can be used to derive topological ordering of protein complexes by computational modeling.