FitDock: protein–ligand docking by template fitting

Abstract Protein–ligand docking is an essential method in computer-aided drug design and structural bioinformatics. It can be used to identify active compounds and reveal molecular mechanisms of biological processes. A successful docking usually requires thorough conformation sampling and scoring, w...

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Bibliographic Details

Published in:	Briefings in bioinformatics Vol. 23; no. 3
Main Authors:	Yang, Xiaocong, Liu, Yang, Gan, Jianhong, Xiao, Zhi-Xiong, Cao, Yang
Format:	Journal Article
Language:	English
Published:	England Oxford University Press 13.05.2022 Oxford Publishing Limited (England)
Subjects:	Bioinformatics Biological activity CAD Computer aided design Crystal structure Docking Drug development Ligands Molecular modelling Proteins protein–ligand docking molecular alignment structure prediction
ISSN:	1467-5463, 1477-4054, 1477-4054
Online Access:	Get full text
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