Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes
Abstract
We developed a new computational algorithm for the accurate identification of ligand binding envelopes rather than surface binding sites. We performed a large scale classification of the identified envelopes according to their shape and physicochemical properties. The predicting algorithm, called PocketFinder, uses a transformation of the Lennard-Jones potential calculated from a three-dimensional protein structure and does not require any...
Paper Details
Title
Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes
Published Date
Jun 1, 2005
Volume
4
Issue
6
Pages
752 - 761
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