Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses

Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses

Ligand docking at a protein site can be improved by prioritizing poses by similarity to validated binding modes found in the crystal structures of ligand/protein complexes. The interactions formed in the predicted model are searched in each of the reference 3D structures, taken individually. We prop...

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Bibliographic Details
Main Authors: Célien Jacquemard, Viet-Khoa Tran-Nguyen, Malgorzata N. Drwal, Didier Rognan, Esther Kellenberger
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Molecules
Subjects:
scoring
protein ligand interaction
benchmarking
Online Access:https://www.mdpi.com/1420-3049/24/14/2610

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