DOCK Blaster:Initial Evaluation

From DISI

write about the preliminary docking calculations. This is a description of the diagnositcs during preliminary docking that are available depending on the inputs.

Contents 1 Overview 2 Case: NO Ligand Supplied 3 Case: Ligand Supplied as mol2 4 Case: Actives supplied 5 Case: Inactives also supplied 6 Interpretation of Similars 7 Interpretation of Dissimilars 8 Interpretation of Extrema

Overview

Case: NO Ligand Supplied

Case: Ligand Supplied as mol2

Case: Actives supplied

Case: Inactives also supplied

Interpretation of Similars

Interpretation of Dissimilars

Interpretation of Extrema