Published in
Royal Society of Chemistry, RSC Medicinal Chemistry, 5(11), p. 552-558, 2020
DOI: 10.1039/c9md00519f
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Discovery of a novel kinase hinge binder fragment by dynamic undocking
Journal article published in 2020 by
Moira Rachman 
,
Dávid Bajusz ,
Anasztázia Hetényi,
Andrea Scarpino ,
Balázs Merő,
Attila Egyed,
László Buday,
Xavier Barril ,
György M. Keserű
,
Dávid Bajusz ,
Anasztázia Hetényi,
Andrea Scarpino ,
Balázs Merő,
Attila Egyed,
László Buday,
Xavier Barril ,
György M. Keserű
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Abstract
A virtual screening workflow for fragment-sized kinase inhibitors is presented, along with a newly identified and validated hinge binder fragment.