Blind Prediction of Complex Water and Ion Ensembles Around RNA in CASP16
Rachael C. Kretsch, Elisa Posani, Eugene F. Baulin, Janusz Marek Bujnicki, Giovanni Bussi, Thomas E. Cheatham, Shi‐Jie Chen, Arne Elofsson, Masoud Amiri Farsani, Olivia N. Fisher, M. Michael Gromiha, Ayush Gupta, Michiaki Hamada, Kannan Harini, Gang Hu, , Rhiju Das
This paper evaluates blind predictions of dynamic water and ion ensembles around RNA using cryo-EM densities from CASP16, finding that molecular dynamics approaches perform best.
Proteins Structure Function and Bioinformatics · Nov 8, 2025Peer-reviewedBiophysics