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Table 2 The summary of cavity detection tools used in the CoBDcok

From: Cobdock: an accurate and practical machine learning-based consensus blind docking method

Cavity detection tool

Type

Overview

P2Rank 2.0

Machine learning

P2Rank is a standalone template-free program for machine learning-based prediction of ligand binding sites [15].

Fpocket

Geometric

A pocket detection tool called Fpocket was developed using alpha spheres and Voronoi tessellation [16].

  1. The identification of binding sites has been a challenge in the field of structural research, prompting the development of several binding site methods throughout the years. A subset of individuals were provided with a brief introductory overview