MD simulations reveal striking hydration dynamics in daraxonrasib tri-complex pockets
CatAstro_Piyush · x · 2026-10-20
A new Rowan Science miniblog reports MD simulations of the daraxonrasib tri-complex system, uncovering interesting hydration dynamics in the binding pockets: distinct high-exchange water sites and lower-exchange clusters near Tyr32 and Gln61, with implications for understanding binding thermodynamics.
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