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ReverseDock: a web server for blind docking of a single ligand to multiple protein targets using AutoDock Vina

Several platforms exist to perform molecular docking to computationally predict binders to a specific protein target from a library of ligands. The reverse, that is, docking a single ligand to various protein targets, can currently be done by very few web servers, which limits the search to a small...

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Main Authors: Fabian Krause, Karsten Voigt, Barbara Di Ventura, Mehmet Ali Öztürk
Format: Artigo
Language:Inglês
Published: Frontiers Media S.A. 2023-10-01
Series:Frontiers in Molecular Biosciences
Subjects:
AutoDock Vina
web server
drug design
off-target analysis
blind docking
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2023.1243970/full
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