BiophysicsJournal of Chemical Information and ModelingPeer-reviewed
Predicting binding events in very flexible, allosteric, multi-domain proteins
Andrea Basciu, Mohd Athar, Han Kurt…·Attilio Vittorio Vargiu
This paper introduces a method to generate bound-like conformations of flexible, multi-domain proteins using unbound structures and binding site information, demonstrating its effectiveness on adenylate kinase.
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