BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
CrypToth: Cryptic pocket detection through mixed-solvent molecular dynamics simulations based topological data analysis
Jun Koseki, Chie Motono, Keisuke Yanagisawa…·Kenichiro Imai
CrypToth identifies cryptic sites on proteins using mixed-solvent molecular dynamics and topological data analysis, achieving high accuracy in hotspot prediction.
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