Transmembrane Protein Docking with JabberDock

نویسندگان

چکیده

Transmembrane proteins act as an intermediary for a broad range of biological process. Making up 20% to 30% the proteome, their ubiquitous nature has resulted in them comprising 50% all targets drug design. Despite importance, they make only 4% structures PDB database, primarily owing difficulties associated with isolating and characterizing them. Membrane protein docking algorithms could help fill this knowledge gap, yet few exist. Moreover, these existing methods achieve success rates lower than current best soluble software. We present test pipeline using our software, JabberDock, dock membrane proteins. JabberDock docks shapes representative structure dynamics biphasic environment. verify JabberDock’s ability yield accurate predictions by applying it benchmark 20 transmembrane dimers, returning rate 75.0%. This makes software very competitive among available protein–protein tools.

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ژورنال

عنوان ژورنال: Journal of Chemical Information and Modeling

سال: 2021

ISSN: ['1549-960X', '1549-9596']

DOI: https://doi.org/10.1021/acs.jcim.0c01315