Interactive Flexible-Receptor Molecular Docking in Virtual Reality Using DockIT
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c01274
Abstract: Interactive docking enables the user to guide and control the docking of two biomolecules into a binding pose. It is of particular use when the binding site is known and is thought to be applicable… read more here.
Keywords: receptor molecular; interactive flexible; receptor; virtual reality ... See more keywords
A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model
Sign Up to like & getrecommendations! Published in 2018 at "BMC Bioinformatics"
DOI: 10.1186/s12859-018-2222-2
Abstract: BackgroundIn the rational drug design process, an ensemble of conformations obtained from a molecular dynamics simulation plays a crucial role in docking experiments. Some studies have found that Fully-Flexible Receptor (FFR) models predict realistic binding… read more here.
Keywords: fully flexible; ensemble docking; method; model ... See more keywords