Uncertainty quantification of receptor ligand binding sites prediction

Recent advancements in protein docking site prediction have highlighted the limitations of traditional rigid docking algorithms, like PIPER, which often neglect critical stochastic elements such as solvent-induced fluctuations. These oversights can lead to inaccuracies in identifying viable docking...

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Veröffentlicht in:	ArXiv.org 2024-11
Hauptverfasser:	Chen, Nanjie, Yu, Dongliang, Beglov, Dmitri, Kon, Mark, Castrillon-Candas, Julio Enrique
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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