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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Vydané v:	Briefings in bioinformatics Ročník 23; číslo 3
Hlavní autori:	Yang, Xiaocong, Liu, Yang, Gan, Jianhong, Xiao, Zhi-Xiong, Cao, Yang
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	England Oxford University Press 13.05.2022 Oxford Publishing Limited (England)
Predmet:	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
On-line prístup:	Získať plný text
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