Modeling conformational transitions in DNA, RNA, and protein–nucleic acid complexes
A generalized essential dynamics-refined ENM (edENM) is introduced for both DNA, RNA, and protein-nucleic acid complexes, parametrized against a diverse set of molecular dynamics simulations and validated using experimental ensembles from nuclear magnetic resonance, X-ray crystallography, and cryogenic electron microsc...
Domenico Scaramozzino, Marco Cannariato, Byung Ho Lee et al.
· Nucleic Acids Research · 1 citation