Sentence examples for molecular field maps from inspiring English sources

Next, molecular field maps are calculated for each receptor.

Receptor-independent CoMFA (Comparative Molecular Field Analysis) maps were employed for generating a pseudocavity for LeapFrog calculation.

Comparative Molecular Field Analysis (CoMFA) contour maps based on the structure activity data of the training set indicate that the 2′ position of the phenyl ring cannot tolerate much steric bulk and that addition of electron-withdrawing groups to the 3′ or 4′ positions of the phenyl ring leads to improved DAT binding affinity.

Molecular field analysis was applied for the generation master grid maps derived from the best model has been used to display the contribution of electrostatic potential and steric, hydrophobic field based on aligned structures.

Comparative molecular field analysis and comparative molecular similarity indices analysis contour maps showed that the binding free energies, KOA, t1/2, and BCF values for the PCBs decreased simultaneously when substituents with electropositive groups at the 3-position or electronegative groups at the 3′-position were introduced.

Using the Molecular Field Topology Analysis (MFTA) approach, [2] predictive models and activity maps for the influence of local (atomic) properties on the inhibitory activity and selectivity were obtained.

In this paper, 3-dimensional quantitative structure activity (structure affinity and structure efficacy) relationships are investigated for a series of non-steroidal agonists (fexaramine series) by using the comparative molecular field analysis (CoMFA), where molecular docking method (FlexX) is employed to construct molecular superimposition maps.

The 3D colored contour maps represent the relationship between the binding free energies and each molecular field.

& Brewer, A.A. Visual field maps in human cortex.

Because field maps were not available for all sessions, a mean field map was generated from 34 available field maps (after exclusion of four poor-quality field maps based on visual inspection).

comparative molecular field analysis.