Virtual Screening module of ntEGFR

Virtual Screening Module of ntEGFR

This module allow users to screen chemical with highest inhibition acitivity against wild and/or mutant EGFR. User may submit large number of chemicals/molecules for predicting their inhibitory activity against EGFR (derivatives of quinazoline against wild EGFR and imidazothiazoles/pyrazolopyrimidines derivatives against mutant EGFR). Server also allow users to sort their molecules according to their inhibition potential that will help the user to find best inhibitor in their chemical library.
In order to assist the user, we have provided the example file containing different molecules. User can load example structure by clicking on the "use example" button. For more information click help .